PubChemLite - Hexanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-n-[4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-3-hydroxyphenyl]- (C32H41F7N2O4)

Structural Information

Molecular Formula

SMILES

CCCCC(C(=O)NC1=CC(=C(C=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)O)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C32H41F7N2O4/c1-8-11-12-25(45-24-16-13-19(28(4,5)9-2)17-21(24)29(6,7)10-3)26(43)40-20-14-15-22(23(42)18-20)41-27(44)30(33,34)31(35,36)32(37,38)39/h13-18,25,42H,8-12H2,1-7H3,(H,40,43)(H,41,44)

InChIKey

FVSDJPACEHXABM-UHFFFAOYSA-N

Compound name

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-hydroxyphenyl]hexanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	651.30278	249.5
[M+Na]+	673.28472	251.2
[M-H]-	649.28822	219.5
[M+NH4]+	668.32932	220.5
[M+K]+	689.25866	247.5
[M+H-H2O]+	633.29276	236.0
[M+HCOO]-	695.29370	226.4
[M+CH3COO]-	709.30935	274.0
[M+Na-2H]-	671.27017	246.4
[M]+	650.29495	208.1
[M]-	650.29605	208.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

651.30278

249.5

[M+Na]+

673.28472

251.2

[M-H]-

649.28822

219.5

[M+NH4]+

668.32932

220.5

[M+K]+

689.25866

247.5

[M+H-H2O]+

633.29276

236.0

[M+HCOO]-

695.29370

226.4

[M+CH3COO]-

709.30935

274.0

[M+Na-2H]-

671.27017

246.4

[M]+

650.29495

208.1

[M]-

650.29605

208.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Hexanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-n-[4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-3-hydroxyphenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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