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]+ 352.16558 183.2
[M+Na]+ 374.14752 187.9
[M-H]- 350.15102 187.9
[M+NH4]+ 369.19212 192.8
[M+K]+ 390.12146 188.3
[M+H-H2O]+ 334.15556 174.0
[M+HCOO]- 396.15650 199.5
[M+CH3COO]- 410.17215 214.3
[M+Na-2H]- 372.13297 185.9
[M]+ 351.15775 180.0
[M]- 351.15885 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.