CID 6441515

29329-88-2

Structural Information

Molecular Formula
C30H29N5
SMILES
CCN1C(N(C2=NC3=CC=CC=C3N=C21)CC)/C=C/C4=C(N(C5=CC=CC=C54)C)C6=CC=CC=C6
InChI
InChI=1S/C30H29N5/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/h6-20,27H,4-5H2,1-3H3/b20-19+
InChIKey
GJUMWAFSOPLWOE-FMQUCBEESA-N
Compound name
1,3-diethyl-2-[(E)-2-(1-methyl-2-phenylindol-3-yl)ethenyl]-2H-imidazo[4,5-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.2423 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.24958 221.9
[M+Na]+ 482.23152 232.4
[M-H]- 458.23502 228.7
[M+NH4]+ 477.27612 230.1
[M+K]+ 498.20546 221.1
[M+H-H2O]+ 442.23956 208.5
[M+HCOO]- 504.24050 235.4
[M+CH3COO]- 518.25615 229.1
[M+Na-2H]- 480.21697 219.1
[M]+ 459.24175 225.2
[M]- 459.24285 225.2
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.