CID 13339267

94568-63-5

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CCOC(=O)NC1=NCC(C2=CC=CC=C2N1)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3O2/c1-2-23-18(22)21-17-19-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)20-17/h3-11,15H,2,12H2,1H3,(H2,19,20,21,22)
InChIKey
XFDFCSZZOCBJMJ-UHFFFAOYSA-N
Compound name
ethyl N-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.155016 173.0
[M+Na]+ 332.136958 177.9
[M-H]- 308.140464 177.5
[M+NH4]+ 327.181563 184.2
[M+K]+ 348.110898 177.6
[M+H-H2O]+ 292.145000 163.9
[M+HCOO]- 354.145941 190.5
[M+CH3COO]- 368.161591 182.0
[M+Na-2H]- 330.122406 178.2
[M]+ 309.14719142 168.5
[M]- 309.14828858 168.5
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.