PubChemLite - 26110-32-7 (C33H47ClN2O4)

Structural Information

Molecular Formula

SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)CC(=O)C(C)(C)C)C(C)(C)CC

InChI

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

InChIKey

ITHPSMPRJDBHIR-UHFFFAOYSA-N

Compound name

N-[5-[4-[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	245.3
[M+Na]+	593.31167	252.8
[M+NH4]+	588.35627	247.6
[M+K]+	609.28561	247.7
[M-H]-	569.31517	246.0
[M+Na-2H]-	591.29712	247.5
[M]+	570.32190	246.7
[M]-	570.32300	246.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.32973

245.3

[M+Na]+

593.31167

252.8

[M+NH4]+

588.35627

247.6

[M+K]+

609.28561

247.7

[M-H]-

569.31517

246.0

[M+Na-2H]-

591.29712

247.5

[M]+

570.32190

246.7

[M]-

570.32300

246.7

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

26110-32-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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