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]+ 310.15502 173.0
[M+Na]+ 332.13696 177.9
[M-H]- 308.14046 177.5
[M+NH4]+ 327.18156 184.2
[M+K]+ 348.11090 177.6
[M+H-H2O]+ 292.14500 163.9
[M+HCOO]- 354.14594 190.5
[M+CH3COO]- 368.16159 182.0
[M+Na-2H]- 330.12241 178.2
[M]+ 309.14719 168.5
[M]- 309.14829 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.