CID 4227170

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

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC1C(=O)NC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C10H10N2O2/c1-6-9(13)12-8-5-3-2-4-7(8)10(14)11-6/h2-6H,1H3,(H,11,14)(H,12,13)
InChIKey
LJONQULKOKMKBR-UHFFFAOYSA-N
Compound name
3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

190.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 137.5
[M+Na]+ 213.063448 144.9
[M-H]- 189.066954 138.3
[M+NH4]+ 208.108053 153.4
[M+K]+ 229.037388 145.0
[M+H-H2O]+ 173.071490 131.1
[M+HCOO]- 235.072431 153.5
[M+CH3COO]- 249.088081 148.8
[M+Na-2H]- 211.048896 143.1
[M]+ 190.07368142 130.9
[M]- 190.07477858 130.9
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