CID 15649435

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

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CN1C(C(=O)NC2=CC=CC=C2C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)
InChIKey
KSQNKZMAMGACTL-UHFFFAOYSA-N
Compound name
3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

36
Patents

280.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 164.7
[M+Na]+ 303.110418 172.0
[M-H]- 279.113924 169.5
[M+NH4]+ 298.155023 177.6
[M+K]+ 319.084358 170.7
[M+H-H2O]+ 263.118460 156.5
[M+HCOO]- 325.119401 181.2
[M+CH3COO]- 339.135051 174.9
[M+Na-2H]- 301.095866 168.6
[M]+ 280.12065142 160.0
[M]- 280.12174858 160.0
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