CID 3562387

1-methyl-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-2,5-dione

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CN1C(=O)CNC(=O)C2=CC=CC=C21
InChI
InChI=1S/C10H10N2O2/c1-12-8-5-3-2-4-7(8)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)
InChIKey
MUESRUHFMTYDIT-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

190.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 136.3
[M+Na]+ 213.06345 144.2
[M-H]- 189.06695 138.5
[M+NH4]+ 208.10805 152.9
[M+K]+ 229.03739 145.0
[M+H-H2O]+ 173.07149 129.7
[M+HCOO]- 235.07243 153.8
[M+CH3COO]- 249.08808 182.9
[M+Na-2H]- 211.04890 142.4
[M]+ 190.07368 131.5
[M]- 190.07478 131.5
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

patents stripe