CID 5279136

N-butylsulfonyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

Structural Information

Molecular Formula
C20H21N3O4S
SMILES
CCCCS(=O)(=O)NC(=O)C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O4S/c1-2-3-13-28(26,27)23-20(25)18-19(24)21-16-12-8-7-11-15(16)17(22-18)14-9-5-4-6-10-14/h4-12,18H,2-3,13H2,1H3,(H,21,24)(H,23,25)
InChIKey
SUOUDKGSECDFMZ-UHFFFAOYSA-N
Compound name
N-butylsulfonyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.12527 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.13255 195.0
[M+Na]+ 422.11449 199.7
[M-H]- 398.11799 199.3
[M+NH4]+ 417.15909 202.8
[M+K]+ 438.08843 199.3
[M+H-H2O]+ 382.12253 186.3
[M+HCOO]- 444.12347 206.1
[M+CH3COO]- 458.13912 218.6
[M+Na-2H]- 420.09994 197.3
[M]+ 399.12472 193.7
[M]- 399.12582 193.7
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.