CID 166447

75113-55-2

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

4
Patents

268.09604 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10332 163.7
[M+Na]+ 291.08526 176.5
[M+NH4]+ 286.12986 166.8
[M+K]+ 307.05920 166.8
[M-H]- 267.08876 160.2
[M+Na-2H]- 289.07071 168.4
[M]+ 268.09549 163.5
[M]- 268.09659 163.5
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