CID 28893368

3-amino-n-(5-chloropyridin-2-yl)benzamide

Structural Information

Molecular Formula
C12H10ClN3O
SMILES
C1=CC(=CC(=C1)N)C(=O)NC2=NC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClN3O/c13-9-4-5-11(15-7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,14H2,(H,15,16,17)
InChIKey
RMMIOVXHHBXTOU-UHFFFAOYSA-N
Compound name
3-amino-N-(5-chloropyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05124 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05852 152.9
[M+Na]+ 270.04046 161.4
[M-H]- 246.04396 158.1
[M+NH4]+ 265.08506 168.8
[M+K]+ 286.01440 156.0
[M+H-H2O]+ 230.04850 145.4
[M+HCOO]- 292.04944 172.9
[M+CH3COO]- 306.06509 195.3
[M+Na-2H]- 268.02591 158.7
[M]+ 247.05069 152.5
[M]- 247.05179 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe