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

95
Patents

351.1583 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 184.7
[M+Na]+ 374.147518 190.1
[M-H]- 350.151024 189.6
[M+NH4]+ 369.192123 194.5
[M+K]+ 390.121458 190.6
[M+H-H2O]+ 334.155560 176.0
[M+HCOO]- 396.156501 200.3
[M+CH3COO]- 410.172151 213.2
[M+Na-2H]- 372.132966 189.2
[M]+ 351.15775142 181.5
[M]- 351.15884858 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