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

110
Patents

190.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 136.3
[M+Na]+ 213.063448 144.2
[M-H]- 189.066954 138.5
[M+NH4]+ 208.108053 152.9
[M+K]+ 229.037388 145.0
[M+H-H2O]+ 173.071490 129.7
[M+HCOO]- 235.072431 153.8
[M+CH3COO]- 249.088081 182.9
[M+Na-2H]- 211.048896 142.4
[M]+ 190.07368142 131.5
[M]- 190.07477858 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