PubChemLite - 27982-36-1 (C33H47ClN2O4)

Structural Information

Molecular Formula

SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CC(=O)C(C)(C)C)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C33H47ClN2O4/c1-11-26(40-27-17-14-21(32(7,8)12-2)18-23(27)33(9,10)13-3)30(39)35-22-15-16-24(34)25(19-22)36-29(38)20-28(37)31(4,5)6/h14-19,26H,11-13,20H2,1-10H3,(H,35,39)(H,36,38)

InChIKey

ICYVXWDOPHKLQR-UHFFFAOYSA-N

Compound name

N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxopentanamide

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]+	571.32973	243.9
[M+Na]+	593.31167	251.1
[M+NH4]+	588.35627	246.1
[M+K]+	609.28561	246.9
[M-H]-	569.31517	244.5
[M+Na-2H]-	591.29712	245.9
[M]+	570.32190	245.2
[M]-	570.32300	245.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.32973

243.9

[M+Na]+

593.31167

251.1

[M+NH4]+

588.35627

246.1

[M+K]+

609.28561

246.9

[M-H]-

569.31517

244.5

[M+Na-2H]-

591.29712

245.9

[M]+

570.32190

245.2

[M]-

570.32300

245.2

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

27982-36-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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