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 235.6
[M+Na]+ 521.21862 246.2
[M-H]- 497.22212 243.0
[M+NH4]+ 516.26322 241.5
[M+K]+ 537.19256 228.9
[M+H-H2O]+ 481.22666 224.0
[M+HCOO]- 543.22760 250.7
[M+CH3COO]- 557.24325 242.0
[M+Na-2H]- 519.20407 236.2
[M]+ 498.22885 240.5
[M]- 498.22995 240.5
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.