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 208.3
[M+Na]+ 452.18188 211.2
[M-H]- 428.18538 217.5
[M+NH4]+ 447.22648 215.0
[M+K]+ 468.15582 200.8
[M+H-H2O]+ 412.18992 198.8
[M+HCOO]- 474.19086 231.1
[M+CH3COO]- 488.20651 229.9
[M+Na-2H]- 450.16733 211.8
[M]+ 429.19211 207.6
[M]- 429.19321 207.6
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.