CID 91262

25078-74-4

Structural Information

Molecular Formula
C30H28N5
SMILES
CCN1C(=[N+](C2=NC3=CC=CC=C3N=C21)CC)C=CC4=C(N(C5=CC=CC=C54)C)C6=CC=CC=C6
InChI
InChI=1S/C30H28N5/c1-4-34-27(35(5-2)30-29(34)31-24-16-10-11-17-25(24)32-30)20-19-23-22-15-9-12-18-26(22)33(3)28(23)21-13-7-6-8-14-21/h6-20H,4-5H2,1-3H3/q+1
InChIKey
HGQFKOAXHLKLHC-UHFFFAOYSA-N
Compound name
1,3-diethyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]imidazo[4,5-b]quinoxalin-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.23447 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.24175 216.0
[M+Na]+ 481.22369 238.2
[M+NH4]+ 476.26829 224.9
[M+K]+ 497.19763 230.3
[M-H]- 457.22719 224.3
[M+Na-2H]- 479.20914 225.7
[M]+ 458.23392 222.3
[M]- 458.23502 222.3
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.