CID 5279135

2-oxo-5-phenyl-n-propylsulfonyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

Structural Information

Molecular Formula
C19H19N3O4S
SMILES
CCCS(=O)(=O)NC(=O)C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C19H19N3O4S/c1-2-12-27(25,26)22-19(24)17-18(23)20-15-11-7-6-10-14(15)16(21-17)13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3,(H,20,23)(H,22,24)
InChIKey
LXSAKZFBRJBLFM-UHFFFAOYSA-N
Compound name
2-oxo-5-phenyl-N-propylsulfonyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.10962 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11690 190.9
[M+Na]+ 408.09884 196.1
[M-H]- 384.10234 195.4
[M+NH4]+ 403.14344 199.3
[M+K]+ 424.07278 195.9
[M+H-H2O]+ 368.10688 182.4
[M+HCOO]- 430.10782 202.4
[M+CH3COO]- 444.12347 215.9
[M+Na-2H]- 406.08429 193.7
[M]+ 385.10907 189.3
[M]- 385.11017 189.3
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.