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

303
Patents

198.05598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 141.6
[M+Na]+ 221.04520 151.0
[M-H]- 197.04870 145.6
[M+NH4]+ 216.08980 161.7
[M+K]+ 237.01914 147.1
[M+H-H2O]+ 181.05324 136.9
[M+HCOO]- 243.05418 162.5
[M+CH3COO]- 257.06983 189.1
[M+Na-2H]- 219.03065 145.3
[M]+ 198.05543 142.2
[M]- 198.05653 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe