CID 25068251

2-amino-5-chloro-n,3-dimethylbenzamide

Structural Information

Molecular Formula

C₉H₁₁ClN₂O

SMILES

CC1=CC(=CC(=C1N)C(=O)NC)Cl

InChI

InChI=1S/C9H11ClN2O/c1-5-3-6(10)4-7(8(5)11)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13)

InChIKey

WOBVZGBINMTNKL-UHFFFAOYSA-N

Compound name

2-amino-5-chloro-N,3-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 291
Patents: 198.05598 Da
Monoisotopic Mass: 2.1
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]+	199.06326	140.6
[M+Na]+	221.04520	152.9
[M+NH4]+	216.08980	149.0
[M+K]+	237.01914	146.8
[M-H]-	197.04870	143.5
[M+Na-2H]-	219.03065	146.8
[M]+	198.05543	143.3
[M]-	198.05653	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe