CID 846639

333454-64-1

Structural Information

Molecular Formula
C16H16ClNO3S
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16ClNO3S/c1-20-12-5-8-15(21-2)14(9-12)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey
NTXUJHDNSXDJFH-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

337.05396 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06124 175.3
[M+Na]+ 360.04318 189.1
[M+NH4]+ 355.08778 183.5
[M+K]+ 376.01712 179.2
[M-H]- 336.04668 179.9
[M+Na-2H]- 358.02863 183.1
[M]+ 337.05341 179.4
[M]- 337.05451 179.4
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.