CID 136698757

121315-16-0

Structural Information

Molecular Formula
C25H25N4O3
SMILES
CC(=C(C(=O)NC1=CC=CC=C1OC)N=NC2=CC=C(C=C2)C=CC3=CC=CC=[N+]3C)O
InChI
InChI=1S/C25H24N4O3/c1-18(30)24(25(31)26-22-9-4-5-10-23(22)32-3)28-27-20-14-11-19(12-15-20)13-16-21-8-6-7-17-29(21)2/h4-17H,1-3H3,(H,26,31)/p+1
InChIKey
YTDLIKOYLRNJAI-UHFFFAOYSA-O
Compound name
3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.19266 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.19994 203.9
[M+Na]+ 452.18188 217.7
[M+NH4]+ 447.22648 209.7
[M+K]+ 468.15582 211.0
[M-H]- 428.18538 211.7
[M+Na-2H]- 450.16733 213.6
[M]+ 429.19211 208.1
[M]- 429.19321 208.1
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.