CID 5279416

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

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CCC(C)OC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O3/c1-3-13(2)26-20(25)23-18-19(24)21-16-12-8-7-11-15(16)17(22-18)14-9-5-4-6-10-14/h4-13,18H,3H2,1-2H3,(H,21,24)(H,23,25)
InChIKey
CGTZDVGHXPHHTB-UHFFFAOYSA-N
Compound name
butan-2-yl 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

0
Patents

351.1583 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 183.2
[M+Na]+ 374.147518 187.9
[M-H]- 350.151024 187.9
[M+NH4]+ 369.192123 192.8
[M+K]+ 390.121458 188.3
[M+H-H2O]+ 334.155560 174.0
[M+HCOO]- 396.156501 199.5
[M+CH3COO]- 410.172151 214.3
[M+Na-2H]- 372.132966 185.9
[M]+ 351.15775142 180.0
[M]- 351.15884858 180.0
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

No patent data available for this compound.