CID 5279140

Schembl643249

Structural Information

Molecular Formula
C21H16FN3O3S
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4F
InChI
InChI=1S/C21H16FN3O3S/c22-16-11-5-7-13-18(16)29(27,28)25-20-21(26)23-17-12-6-4-10-15(17)19(24-20)14-8-2-1-3-9-14/h1-13,20,25H,(H,23,26)
InChIKey
LDYANPBNHSFGCS-UHFFFAOYSA-N
Compound name
2-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

409.08963 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.09691 197.6
[M+Na]+ 432.07885 204.6
[M-H]- 408.08235 204.1
[M+NH4]+ 427.12345 205.0
[M+K]+ 448.05279 202.5
[M+H-H2O]+ 392.08689 187.7
[M+HCOO]- 454.08783 209.3
[M+CH3COO]- 468.10348 205.2
[M+Na-2H]- 430.06430 201.3
[M]+ 409.08908 193.7
[M]- 409.09018 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.