CID 387405

Nsc681155

Structural Information

Molecular Formula
C16H12ClN3O4S2
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)N3C=CNC3=O
InChI
InChI=1S/C16H12ClN3O4S2/c17-12-9-13(25)14(26(23,24)20-7-6-18-16(20)22)8-11(12)15(21)19-10-4-2-1-3-5-10/h1-9,25H,(H,18,22)(H,19,21)
InChIKey
FLKZRDDLBOWKIK-UHFFFAOYSA-N
Compound name
2-chloro-5-[(2-oxo-1H-imidazol-3-yl)sulfonyl]-N-phenyl-4-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.9958 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.00308 190.2
[M+Na]+ 431.98502 200.7
[M-H]- 407.98852 197.4
[M+NH4]+ 427.02962 200.7
[M+K]+ 447.95896 192.6
[M+H-H2O]+ 391.99306 183.7
[M+HCOO]- 453.99400 197.1
[M+CH3COO]- 468.00965 214.0
[M+Na-2H]- 429.97047 190.5
[M]+ 408.99525 195.1
[M]- 408.99635 195.1
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.