CID 387404

Nsc681154

Structural Information

Molecular Formula
C17H14ClN3O4S2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)N3C=CNC3=O
InChI
InChI=1S/C17H14ClN3O4S2/c1-10-2-4-11(5-3-10)20-16(22)12-8-15(14(26)9-13(12)18)27(24,25)21-7-6-19-17(21)23/h2-9,26H,1H3,(H,19,23)(H,20,22)
InChIKey
JXTPSCJBNJPCFX-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methylphenyl)-5-[(2-oxo-1H-imidazol-3-yl)sulfonyl]-4-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0114 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.01868 194.4
[M+Na]+ 446.00062 205.1
[M-H]- 422.00412 201.7
[M+NH4]+ 441.04522 204.6
[M+K]+ 461.97456 196.8
[M+H-H2O]+ 406.00866 187.9
[M+HCOO]- 468.00960 200.9
[M+CH3COO]- 482.02525 218.2
[M+Na-2H]- 443.98607 193.6
[M]+ 423.01085 200.1
[M]- 423.01195 200.1
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.