CID 5274886

2-pyridinecarboxamide,n-[(4-chlorophenyl)methyl]-3-hydroxy-

Structural Information

Molecular Formula
C13H11ClN2O2
SMILES
C1=CC(=C(N=C1)C(=O)NCC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H11ClN2O2/c14-10-5-3-9(4-6-10)8-16-13(18)12-11(17)2-1-7-15-12/h1-7,17H,8H2,(H,16,18)
InChIKey
GMFVAAGYFUIKAV-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

262.0509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05818 155.6
[M+Na]+ 285.04012 164.0
[M-H]- 261.04362 159.9
[M+NH4]+ 280.08472 170.8
[M+K]+ 301.01406 158.4
[M+H-H2O]+ 245.04816 148.3
[M+HCOO]- 307.04910 173.6
[M+CH3COO]- 321.06475 193.5
[M+Na-2H]- 283.02557 161.2
[M]+ 262.05035 156.7
[M]- 262.05145 156.7
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