CID 18419424

6-chloro-n-(3-methoxyphenyl)nicotinamide

Structural Information

Molecular Formula
C13H11ClN2O2
SMILES
COC1=CC=CC(=C1)NC(=O)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C13H11ClN2O2/c1-18-11-4-2-3-10(7-11)16-13(17)9-5-6-12(14)15-8-9/h2-8H,1H3,(H,16,17)
InChIKey
ASXCWGAHQLUQBZ-UHFFFAOYSA-N
Compound name
6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

262.0509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05818 155.5
[M+Na]+ 285.04012 164.2
[M-H]- 261.04362 161.1
[M+NH4]+ 280.08472 171.3
[M+K]+ 301.01406 159.6
[M+H-H2O]+ 245.04816 147.8
[M+HCOO]- 307.04910 175.0
[M+CH3COO]- 321.06475 196.0
[M+Na-2H]- 283.02557 161.5
[M]+ 262.05035 158.4
[M]- 262.05145 158.4
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