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

literature stripe

Patent stripe

patents stripe