CID 5271715

6-(1h-imidazol-2-ylmethyl)-2,3-dimethyl-indolo[3,2-b]quinoxaline

Structural Information

Molecular Formula
C20H17N5
SMILES
CC1=CC2=C(C=C1C)N=C3C(=N2)C4=CC=CC=C4N3CC5=NC=CN5
InChI
InChI=1S/C20H17N5/c1-12-9-15-16(10-13(12)2)24-20-19(23-15)14-5-3-4-6-17(14)25(20)11-18-21-7-8-22-18/h3-10H,11H2,1-2H3,(H,21,22)
InChIKey
GUTSAIJIIPRCEJ-UHFFFAOYSA-N
Compound name
6-(1H-imidazol-2-ylmethyl)-2,3-dimethylindolo[3,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.1484 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15568 180.4
[M+Na]+ 350.13762 194.2
[M-H]- 326.14112 184.3
[M+NH4]+ 345.18222 194.1
[M+K]+ 366.11156 185.0
[M+H-H2O]+ 310.14566 170.1
[M+HCOO]- 372.14660 197.9
[M+CH3COO]- 386.16225 191.3
[M+Na-2H]- 348.12307 184.6
[M]+ 327.14785 184.9
[M]- 327.14895 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.