CID 166464

1,3'-bipyridinium, 1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-5'-((4-(phenylazo)phenyl)azo)-, chloride

Structural Information

Molecular Formula
C24H21N6O2
SMILES
CC1=C[N+](=CC=C1)C2=C(C(=C(NC2=O)O)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4)C
InChI
InChI=1S/C24H20N6O2/c1-16-7-6-14-30(15-16)22-17(2)21(23(31)25-24(22)32)29-28-20-12-10-19(11-13-20)27-26-18-8-4-3-5-9-18/h3-15H,1-2H3,(H-,25,26,28,31,32)/p+1
InChIKey
SWGDJEZZEHWPGU-UHFFFAOYSA-O
Compound name
6-hydroxy-4-methyl-3-(3-methylpyridin-1-ium-1-yl)-5-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

425.1726 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.17988 206.8
[M+Na]+ 448.16182 214.1
[M-H]- 424.16532 220.2
[M+NH4]+ 443.20642 213.1
[M+K]+ 464.13576 202.1
[M+H-H2O]+ 408.16986 195.1
[M+HCOO]- 470.17080 234.2
[M+CH3COO]- 484.18645 234.7
[M+Na-2H]- 446.14727 215.5
[M]+ 425.17205 207.2
[M]- 425.17315 207.2
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.