CID 5279415

Schembl642831

Structural Information

Molecular Formula
C18H17N3O3
SMILES
CCOC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C18H17N3O3/c1-2-24-18(23)21-16-17(22)19-14-11-7-6-10-13(14)15(20-16)12-8-4-3-5-9-12/h3-11,16H,2H2,1H3,(H,19,22)(H,21,23)
InChIKey
OLQVCDBWPLFXOP-UHFFFAOYSA-N
Compound name
ethyl N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

323.12698 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 175.3
[M+Na]+ 346.11620 181.2
[M-H]- 322.11970 180.2
[M+NH4]+ 341.16080 186.1
[M+K]+ 362.09014 181.3
[M+H-H2O]+ 306.12424 166.3
[M+HCOO]- 368.12518 193.2
[M+CH3COO]- 382.14083 184.6
[M+Na-2H]- 344.10165 180.0
[M]+ 323.12643 172.0
[M]- 323.12753 172.0
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.