CID 136217320

72765-55-0

Structural Information

Molecular Formula
C23H19N6O2
SMILES
CC1=C(C(=O)NC(=C1N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3)O)[N+]4=CC=CC=C4
InChI
InChI=1S/C23H18N6O2/c1-16-20(22(30)24-23(31)21(16)29-14-6-3-7-15-29)28-27-19-12-10-18(11-13-19)26-25-17-8-4-2-5-9-17/h2-15H,1H3,(H-,24,25,27,30,31)/p+1
InChIKey
COEUVJZEOGGXGE-UHFFFAOYSA-O
Compound name
6-hydroxy-4-methyl-5-[(4-phenyldiazenylphenyl)diazenyl]-3-pyridin-1-ium-1-yl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

411.15695 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16423 197.5
[M+Na]+ 434.14617 215.7
[M+NH4]+ 429.19077 204.9
[M+K]+ 450.12011 206.8
[M-H]- 410.14967 209.4
[M+Na-2H]- 432.13162 212.2
[M]+ 411.15640 203.8
[M]- 411.15750 203.8
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.