CID 2740936

4h,5h-pyrrolo[1,2-a]quinoxalin-4-one

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CC=C2C(=C1)NC(=O)C3=CC=CN23
InChI
InChI=1S/C11H8N2O/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-7H,(H,12,14)
InChIKey
LINHQLFBBDHSEJ-UHFFFAOYSA-N
Compound name
5H-pyrrolo[1,2-a]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

198
Patents

184.06366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.070936 134.9
[M+Na]+ 207.052878 147.1
[M-H]- 183.056384 137.5
[M+NH4]+ 202.097483 155.7
[M+K]+ 223.026818 141.7
[M+H-H2O]+ 167.060920 128.1
[M+HCOO]- 229.061861 157.1
[M+CH3COO]- 243.077511 149.1
[M+Na-2H]- 205.038326 144.6
[M]+ 184.06311142 136.0
[M]- 184.06420858 136.0
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

patents stripe