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

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 164.4
[M+Na]+ 291.08526 175.6
[M-H]- 267.08876 169.2
[M+NH4]+ 286.12986 177.5
[M+K]+ 307.05920 170.8
[M+H-H2O]+ 251.09330 149.5
[M+HCOO]- 313.09424 185.7
[M+CH3COO]- 327.10989 213.7
[M+Na-2H]- 289.07071 168.3
[M]+ 268.09549 160.0
[M]- 268.09659 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