CID 228018

N,n-diisobutylbenzamide

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

CC(C)CN(CC(C)C)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H23NO/c1-12(2)10-16(11-13(3)4)15(17)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3

InChIKey

JYTNUJXHOWUHHN-UHFFFAOYSA-N

Compound name

N,N-bis(2-methylpropyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 233.17796 Da
Monoisotopic Mass: 3.2
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	158.9
[M+Na]+	256.167178	162.6
[M-H]-	232.170684	163.1
[M+NH4]+	251.211783	176.9
[M+K]+	272.141118	162.0
[M+H-H2O]+	216.175220	151.8
[M+HCOO]-	278.176161	180.4
[M+CH3COO]-	292.191811	200.9
[M+Na-2H]-	254.152626	159.6
[M]+	233.17741142	160.2
[M]-	233.17850858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe