CID 3111990

N-(4-chlorophenyl)-n-(1,1-dioxidotetrahydro-3-thienyl)benzamide

Structural Information

Molecular Formula
C17H16ClNO3S
SMILES
C1CS(=O)(=O)CC1N(C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H16ClNO3S/c18-14-6-8-15(9-7-14)19(16-10-11-23(21,22)12-16)17(20)13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKey
MQXUUHIUTONJSA-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

349.05396 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.06124 175.9
[M+Na]+ 372.04318 188.6
[M+NH4]+ 367.08778 185.9
[M+K]+ 388.01712 179.3
[M-H]- 348.04668 181.7
[M+Na-2H]- 370.02863 186.1
[M]+ 349.05341 180.2
[M]- 349.05451 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.