CID 120519

5-chloro-n-methyl-2-(methylamino)benzamide

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
CNC1=C(C=C(C=C1)Cl)C(=O)NC
InChI
InChI=1S/C9H11ClN2O/c1-11-8-4-3-6(10)5-7(8)9(13)12-2/h3-5,11H,1-2H3,(H,12,13)
InChIKey
BMCOSVQERMMXFD-UHFFFAOYSA-N
Compound name
5-chloro-N-methyl-2-(methylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.05598 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 141.3
[M+Na]+ 221.04520 149.7
[M-H]- 197.04870 145.3
[M+NH4]+ 216.08980 161.3
[M+K]+ 237.01914 146.0
[M+H-H2O]+ 181.05324 136.2
[M+HCOO]- 243.05418 162.7
[M+CH3COO]- 257.06983 188.5
[M+Na-2H]- 219.03065 146.8
[M]+ 198.05543 142.5
[M]- 198.05653 142.5
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