CID 722405

4-tert-butyl-n-isobutylbenzamide

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

CC(C)CNC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C15H23NO/c1-11(2)10-16-14(17)12-6-8-13(9-7-12)15(3,4)5/h6-9,11H,10H2,1-5H3,(H,16,17)

InChIKey

MEHAOUKZKMUZMN-UHFFFAOYSA-N

Compound name

4-tert-butyl-N-(2-methylpropyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 233.17796 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

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]+	234.185236	157.4
[M+Na]+	256.167178	162.8
[M-H]-	232.170684	160.9
[M+NH4]+	251.211783	175.5
[M+K]+	272.141118	160.8
[M+H-H2O]+	216.175220	151.5
[M+HCOO]-	278.176161	178.0
[M+CH3COO]-	292.191811	197.3
[M+Na-2H]-	254.152626	160.3
[M]+	233.17741142	158.1
[M]-	233.17850858	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe