CID 5274874

2-pyridinecarboxamide,3-hydroxy-n-(4-methylphenyl)-

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=N2)O
InChI
InChI=1S/C13H12N2O2/c1-9-4-6-10(7-5-9)15-13(17)12-11(16)3-2-8-14-12/h2-8,16H,1H3,(H,15,17)
InChIKey
MBKJEVLNXQIQCY-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(4-methylphenyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

228.08987 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.8
[M+Na]+ 251.07909 157.4
[M-H]- 227.08259 154.3
[M+NH4]+ 246.12369 165.5
[M+K]+ 267.05303 153.6
[M+H-H2O]+ 211.08713 141.9
[M+HCOO]- 273.08807 172.4
[M+CH3COO]- 287.10372 189.8
[M+Na-2H]- 249.06454 155.8
[M]+ 228.08932 148.7
[M]- 228.09042 148.7
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