CID 5271717

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

Structural Information

Molecular Formula
C18H13N5
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3N2CC5=NC=CN5
InChI
InChI=1S/C18H13N5/c1-4-8-15-12(5-1)17-18(23(15)11-16-19-9-10-20-16)22-14-7-3-2-6-13(14)21-17/h1-10H,11H2,(H,19,20)
InChIKey
AFUTUOLUYSYPDN-UHFFFAOYSA-N
Compound name
6-(1H-imidazol-2-ylmethyl)indolo[3,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.1171 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12438 168.2
[M+Na]+ 322.10632 181.2
[M-H]- 298.10982 171.7
[M+NH4]+ 317.15092 182.5
[M+K]+ 338.08026 172.5
[M+H-H2O]+ 282.11436 157.8
[M+HCOO]- 344.11530 186.5
[M+CH3COO]- 358.13095 179.5
[M+Na-2H]- 320.09177 175.2
[M]+ 299.11655 171.3
[M]- 299.11765 171.3
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.