CID 283534

49799-48-6

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1C(=O)NC2=CC=CC=C2NC1=O
InChI
InChI=1S/C9H8N2O2/c12-8-5-9(13)11-7-4-2-1-3-6(7)10-8/h1-4H,5H2,(H,10,12)(H,11,13)
InChIKey
UNFHOAZOCIELCW-UHFFFAOYSA-N
Compound name
1,5-dihydro-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

141
Patents

176.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.1
[M+Na]+ 199.04780 140.1
[M-H]- 175.05130 133.7
[M+NH4]+ 194.09240 149.3
[M+K]+ 215.02174 140.3
[M+H-H2O]+ 159.05584 126.7
[M+HCOO]- 221.05678 149.5
[M+CH3COO]- 235.07243 144.5
[M+Na-2H]- 197.03325 139.9
[M]+ 176.05803 125.8
[M]- 176.05913 125.8
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.