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

0
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 178.9
[M+Na]+ 372.04318 186.9
[M-H]- 348.04668 190.3
[M+NH4]+ 367.08778 197.0
[M+K]+ 388.01712 182.0
[M+H-H2O]+ 332.05122 172.4
[M+HCOO]- 394.05216 193.8
[M+CH3COO]- 408.06781 208.9
[M+Na-2H]- 370.02863 179.0
[M]+ 349.05341 182.4
[M]- 349.05451 182.4
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.