CID 1456

41443-28-1

Structural Information

Molecular Formula
C9H5N3O2
SMILES
C1=CC=C2C(=C1)N=CC3=NOC(=O)N23
InChI
InChI=1S/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H
InChIKey
LZMHWZHOZLVYDL-UHFFFAOYSA-N
Compound name
[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1210
References

767
Patents

187.03818 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04546 133.1
[M+Na]+ 210.02740 146.6
[M-H]- 186.03090 136.5
[M+NH4]+ 205.07200 151.7
[M+K]+ 226.00134 144.0
[M+H-H2O]+ 170.03544 125.4
[M+HCOO]- 232.03638 155.3
[M+CH3COO]- 246.05203 148.0
[M+Na-2H]- 208.01285 144.6
[M]+ 187.03763 137.8
[M]- 187.03873 137.8
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