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 200.9
[M+Na]+ 434.14617 207.8
[M-H]- 410.14967 214.1
[M+NH4]+ 429.19077 207.5
[M+K]+ 450.12011 195.9
[M+H-H2O]+ 394.15421 189.4
[M+HCOO]- 456.15515 228.7
[M+CH3COO]- 470.17080 230.6
[M+Na-2H]- 432.13162 211.1
[M]+ 411.15640 200.6
[M]- 411.15750 200.6
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.