CID 166447

Dtxsid00888466

Structural Information

Molecular Formula
C14H12N4O2
SMILES
CC1=CC=C(C=C1)N=NC2=C(C(=C(NC2=O)O)C#N)C
InChI
InChI=1S/C14H12N4O2/c1-8-3-5-10(6-4-8)17-18-12-9(2)11(7-15)13(19)16-14(12)20/h3-6H,1-2H3,(H2,16,19,20)
InChIKey
GQTIFDAKWBGUAT-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methyl-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

268.09604 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.103316 164.4
[M+Na]+ 291.085258 175.6
[M-H]- 267.088764 169.2
[M+NH4]+ 286.129863 177.5
[M+K]+ 307.059198 170.8
[M+H-H2O]+ 251.093300 149.5
[M+HCOO]- 313.094241 185.7
[M+CH3COO]- 327.109891 213.7
[M+Na-2H]- 289.070706 168.3
[M]+ 268.09549142 160.0
[M]- 268.09658858 160.0
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