CID 392839

Nsc693817

Structural Information

Molecular Formula
C18H15NO3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO3S2/c1-13-7-9-15(10-8-13)24(21,22)16-11-12-23-18(16)19-17(20)14-5-3-2-4-6-14/h2-12H,1H3,(H,19,20)
InChIKey
JKIAQPDERNGWCB-UHFFFAOYSA-N
Compound name
N-[3-(4-methylphenyl)sulfonylthiophen-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

357.04935 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.056626 183.4
[M+Na]+ 380.038568 191.8
[M-H]- 356.042074 193.4
[M+NH4]+ 375.083173 198.1
[M+K]+ 396.012508 185.3
[M+H-H2O]+ 340.046610 176.4
[M+HCOO]- 402.047551 197.8
[M+CH3COO]- 416.063201 209.3
[M+Na-2H]- 378.024016 184.2
[M]+ 357.04880142 186.5
[M]- 357.04989858 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.