CID 215936

36845-14-4

Structural Information

Molecular Formula
C12H10ClN3O
SMILES
C1=CC(=CC=C1C(=O)NC2=NC=C(C=C2)Cl)N
InChI
InChI=1S/C12H10ClN3O/c13-9-3-6-11(15-7-9)16-12(17)8-1-4-10(14)5-2-8/h1-7H,14H2,(H,15,16,17)
InChIKey
BSJGXTNBRNVOQK-UHFFFAOYSA-N
Compound name
4-amino-N-(5-chloro-2-pyridinyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
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]+ 248.058516 152.9
[M+Na]+ 270.040458 161.4
[M-H]- 246.043964 158.1
[M+NH4]+ 265.085063 168.8
[M+K]+ 286.014398 156.0
[M+H-H2O]+ 230.048500 145.4
[M+HCOO]- 292.049441 172.9
[M+CH3COO]- 306.065091 195.3
[M+Na-2H]- 268.025906 158.7
[M]+ 247.05069142 152.5
[M]- 247.05178858 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

No patent data available for this compound.