CID 5274887

Schembl14284363

Structural Information

Molecular Formula
C13H11ClN2O2
SMILES
C1=CC(=CC(=C1)Cl)CNC(=O)C2=C(C=CC=N2)O
InChI
InChI=1S/C13H11ClN2O2/c14-10-4-1-3-9(7-10)8-16-13(18)12-11(17)5-2-6-15-12/h1-7,17H,8H2,(H,16,18)
InChIKey
LZWUDMVLDDQSLL-UHFFFAOYSA-N
Compound name
N-[(3-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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.