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]+ 358.05663 183.4
[M+Na]+ 380.03857 191.8
[M-H]- 356.04207 193.4
[M+NH4]+ 375.08317 198.1
[M+K]+ 396.01251 185.3
[M+H-H2O]+ 340.04661 176.4
[M+HCOO]- 402.04755 197.8
[M+CH3COO]- 416.06320 209.3
[M+Na-2H]- 378.02402 184.2
[M]+ 357.04880 186.5
[M]- 357.04990 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.