CID 166460

Disperse yellow 231

Structural Information

Molecular Formula
C25H24N4O4
SMILES
CCCCN1C(=C(C(=C(C1=O)N=NC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)C)C#N)O
InChI
InChI=1S/C25H24N4O4/c1-3-4-14-29-23(30)21(15-26)17(2)22(24(29)31)28-27-20-12-10-19(11-13-20)25(32)33-16-18-8-6-5-7-9-18/h5-13,30H,3-4,14,16H2,1-2H3
InChIKey
PJILQVVUGZBIRF-UHFFFAOYSA-N
Compound name
benzyl 4-[(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3-yl)diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

444.17975 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.18703 212.4
[M+Na]+ 467.16897 221.0
[M-H]- 443.17247 219.3
[M+NH4]+ 462.21357 218.5
[M+K]+ 483.14291 214.8
[M+H-H2O]+ 427.17701 194.0
[M+HCOO]- 489.17795 231.9
[M+CH3COO]- 503.19360 246.1
[M+Na-2H]- 465.15442 211.7
[M]+ 444.17920 211.7
[M]- 444.18030 211.7
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