CID 16772268

4-amino-2-chloro-n-(isobutyl)benzamide

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

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

InChI

InChI=1S/C11H15ClN2O/c1-7(2)6-14-11(15)9-4-3-8(13)5-10(9)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)

InChIKey

RVCMRMJVIZDNEK-UHFFFAOYSA-N

Compound name

4-amino-2-chloro-N-(2-methylpropyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.0873 Da
Monoisotopic Mass: 2.6
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]+	227.094576	151.3
[M+Na]+	249.076518	158.6
[M-H]-	225.080024	154.6
[M+NH4]+	244.121123	169.8
[M+K]+	265.050458	154.6
[M+H-H2O]+	209.084560	146.0
[M+HCOO]-	271.085501	170.5
[M+CH3COO]-	285.101151	194.9
[M+Na-2H]-	247.061966	153.4
[M]+	226.08675142	151.6
[M]-	226.08784858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe