CID 389760

Nsc686355

Structural Information

Molecular Formula
C9H5N3O2
SMILES
C1=CC=C2C(=C1)C3=NOC(=O)N3C=N2
InChI
InChI=1S/C9H5N3O2/c13-9-12-5-10-7-4-2-1-3-6(7)8(12)11-14-9/h1-5H
InChIKey
IPISHVIJAOGTDA-UHFFFAOYSA-N
Compound name
[1,2,4]oxadiazolo[4,3-c]quinazolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.