PubChemLite - 346-10-1 (C30H37F7N2O4)

Structural Information

Molecular Formula

SMILES

CCC(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/C30H37F7N2O4/c1-8-22(43-23-14-11-17(26(4,5)9-2)15-19(23)27(6,7)10-3)24(41)38-18-12-13-20(21(40)16-18)39-25(42)28(31,32)29(33,34)30(35,36)37/h11-16,22,40H,8-10H2,1-7H3,(H,38,41)(H,39,42)

InChIKey

GJVFPXBDZTWODC-UHFFFAOYSA-N

Compound name

N-[4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-hydroxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanamide

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]+	623.27144	240.8
[M+Na]+	645.25338	243.4
[M-H]-	621.25688	236.5
[M+NH4]+	640.29798	213.8
[M+K]+	661.22732	240.1
[M+H-H2O]+	605.26142	227.6
[M+HCOO]-	667.26236	220.4
[M+CH3COO]-	681.27801	268.6
[M+Na-2H]-	643.23883	238.6
[M]+	622.26361	234.4
[M]-	622.26471	234.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

623.27144

240.8

[M+Na]+

645.25338

243.4

[M-H]-

621.25688

236.5

[M+NH4]+

640.29798

213.8

[M+K]+

661.22732

240.1

[M+H-H2O]+

605.26142

227.6

[M+HCOO]-

667.26236

220.4

[M+CH3COO]-

681.27801

268.6

[M+Na-2H]-

643.23883

238.6

[M]+

622.26361

234.4

[M]-

622.26471

234.4

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

346-10-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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