CID 5279411

Tert-butyl n-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CC(C)(C)OC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O3/c1-20(2,3)26-19(25)23-17-18(24)21-15-12-8-7-11-14(15)16(22-17)13-9-5-4-6-10-13/h4-12,17H,1-3H3,(H,21,24)(H,23,25)
InChIKey
KVAQWLAARUGDFS-UHFFFAOYSA-N
Compound name
tert-butyl 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

91
Patents

351.1583 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 184.7
[M+Na]+ 374.14752 190.1
[M-H]- 350.15102 189.6
[M+NH4]+ 369.19212 194.5
[M+K]+ 390.12146 190.6
[M+H-H2O]+ 334.15556 176.0
[M+HCOO]- 396.15650 200.3
[M+CH3COO]- 410.17215 213.2
[M+Na-2H]- 372.13297 189.2
[M]+ 351.15775 181.5
[M]- 351.15885 181.5
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

patents stripe