CID 840301

2-chloro-n-(4-methoxyphenyl)nicotinamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
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

literature stripe

Patent stripe

patents stripe