CID 6436973

Einecs 265-466-1

Structural Information

Molecular Formula
C32H28N5O
SMILES
CON1C2=CC=CC=C2C(=C1C3=CC=CC=C3)/C=C/C4=[N+](C5=NC6=CC=CC=C6N=C5N4CC=C)CC=C
InChI
InChI=1S/C32H28N5O/c1-4-21-35-29(36(22-5-2)32-31(35)33-26-16-10-11-17-27(26)34-32)20-19-25-24-15-9-12-18-28(24)37(38-3)30(25)23-13-7-6-8-14-23/h4-20H,1-2,21-22H2,3H3/q+1
InChIKey
YUUJOADQCBPLJI-UHFFFAOYSA-N
Compound name
2-[(E)-2-(1-methoxy-2-phenylindol-3-yl)ethenyl]-1,3-bis(prop-2-enyl)imidazo[4,5-b]quinoxalin-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.2294 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.23668 226.2
[M+Na]+ 521.21862 247.5
[M+NH4]+ 516.26322 233.6
[M+K]+ 537.19256 239.6
[M-H]- 497.22212 233.5
[M+Na-2H]- 519.20407 234.8
[M]+ 498.22885 232.0
[M]- 498.22995 232.0
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.