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 174.0
[M+Na]+ 360.04318 182.1
[M-H]- 336.04668 181.0
[M+NH4]+ 355.08778 188.9
[M+K]+ 376.01712 176.7
[M+H-H2O]+ 320.05122 167.0
[M+HCOO]- 382.05216 188.8
[M+CH3COO]- 396.06781 209.1
[M+Na-2H]- 358.02863 175.2
[M]+ 337.05341 181.4
[M]- 337.05451 181.4
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.