CID 3645388

89647-48-3

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC1CC(=O)NC2=CC=CC=C2N1C(=O)OC
InChI
InChI=1S/C12H14N2O3/c1-8-7-11(15)13-9-5-3-4-6-10(9)14(8)12(16)17-2/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKey
QTQYSOSHLWIANT-UHFFFAOYSA-N
Compound name
methyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 149.1
[M+Na]+ 257.08967 158.9
[M+NH4]+ 252.13427 154.8
[M+K]+ 273.06361 155.6
[M-H]- 233.09317 148.7
[M+Na-2H]- 255.07512 152.6
[M]+ 234.09990 150.1
[M]- 234.10100 150.1
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

No patent data available for this compound.