CID 16795589

4-amino-2-chloro-n-(pyridin-2-ylmethyl)benzamide

Structural Information

Molecular Formula
C13H12ClN3O
SMILES
C1=CC=NC(=C1)CNC(=O)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C13H12ClN3O/c14-12-7-9(15)4-5-11(12)13(18)17-8-10-3-1-2-6-16-10/h1-7H,8,15H2,(H,17,18)
InChIKey
XXRHXQUNVSCUGZ-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-N-(pyridin-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

261.0669 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.074176 157.5
[M+Na]+ 284.056118 165.5
[M-H]- 260.059624 162.5
[M+NH4]+ 279.100723 172.8
[M+K]+ 300.030058 159.8
[M+H-H2O]+ 244.064160 149.7
[M+HCOO]- 306.065101 177.1
[M+CH3COO]- 320.080751 198.3
[M+Na-2H]- 282.041566 162.7
[M]+ 261.06635142 157.3
[M]- 261.06744858 157.3
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