CID 392838

Nsc693816

Structural Information

Molecular Formula
C17H13NO3S2
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(C=CS2)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO3S2/c19-16(13-7-3-1-4-8-13)18-17-15(11-12-22-17)23(20,21)14-9-5-2-6-10-14/h1-12H,(H,18,19)
InChIKey
MUMNOQLMMQKDKJ-UHFFFAOYSA-N
Compound name
N-[3-(benzenesulfonyl)thiophen-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.0337 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.04098 179.5
[M+Na]+ 366.02292 187.6
[M-H]- 342.02642 189.3
[M+NH4]+ 361.06752 194.5
[M+K]+ 381.99686 181.3
[M+H-H2O]+ 326.03096 172.5
[M+HCOO]- 388.03190 194.3
[M+CH3COO]- 402.04755 205.3
[M+Na-2H]- 364.00837 181.3
[M]+ 343.03315 181.9
[M]- 343.03425 181.9
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.