CID 6441540

Einecs 250-675-2

Structural Information

Molecular Formula
C32H28N6O2
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C3=CC=CC=C3)/C=C/C4N(C5=NC6=CC=CC=C6N=C5N4CC=C)CC=C
InChI
InChI=1S/C32H28N6O2/c1-4-19-36-29(37(20-5-2)32-31(36)33-26-13-9-10-14-27(26)34-32)18-16-24-25-21-23(38(39)40)15-17-28(25)35(3)30(24)22-11-7-6-8-12-22/h4-18,21,29H,1-2,19-20H2,3H3/b18-16+
InChIKey
ICOKJQSLYUDKNZ-FBMGVBCBSA-N
Compound name
2-[(E)-2-(1-methyl-5-nitro-2-phenylindol-3-yl)ethenyl]-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.22736 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.23464 237.4
[M+Na]+ 551.21658 244.4
[M-H]- 527.22008 244.2
[M+NH4]+ 546.26118 241.1
[M+K]+ 567.19052 229.1
[M+H-H2O]+ 511.22462 227.7
[M+HCOO]- 573.22556 250.8
[M+CH3COO]- 587.24121 245.1
[M+Na-2H]- 549.20203 236.5
[M]+ 528.22681 238.1
[M]- 528.22791 238.1
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.