CID 3725575

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

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CN1CC(=O)NC2=CC=CC=C2C1=O
InChI
InChI=1S/C10H10N2O2/c1-12-6-9(13)11-8-5-3-2-4-7(8)10(12)14/h2-5H,6H2,1H3,(H,11,13)
InChIKey
ZVHUQIMPAVOVTR-UHFFFAOYSA-N
Compound name
4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
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]+ 191.08151 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

literature stripe

Patent stripe

patents stripe