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]+ 324.134256 175.3
[M+Na]+ 346.116198 181.2
[M-H]- 322.119704 180.2
[M+NH4]+ 341.160803 186.1
[M+K]+ 362.090138 181.3
[M+H-H2O]+ 306.124240 166.3
[M+HCOO]- 368.125181 193.2
[M+CH3COO]- 382.140831 184.6
[M+Na-2H]- 344.101646 180.0
[M]+ 323.12643142 172.0
[M]- 323.12752858 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

patents stripe