CID 4263295

4-chloro-n-(1,1-dioxido-2,3-dihydro-3-thienyl)-n-(4-methoxyphenyl)benzamide

Structural Information

Molecular Formula
C18H16ClNO4S
SMILES
COC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H16ClNO4S/c1-24-17-8-6-15(7-9-17)20(16-10-11-25(22,23)12-16)18(21)13-2-4-14(19)5-3-13/h2-11,16H,12H2,1H3
InChIKey
XMWFZTIHWMBBND-UHFFFAOYSA-N
Compound name
4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.04886 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.05614 184.5
[M+Na]+ 400.03808 193.6
[M-H]- 376.04158 196.5
[M+NH4]+ 395.08268 201.7
[M+K]+ 416.01202 189.1
[M+H-H2O]+ 360.04612 177.9
[M+HCOO]- 422.04706 200.6
[M+CH3COO]- 436.06271 214.7
[M+Na-2H]- 398.02353 184.7
[M]+ 377.04831 191.5
[M]- 377.04941 191.5
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.