CID 4524299

303091-30-7

Structural Information

Molecular Formula
C23H21ClO2S2
SMILES
COC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)SC)SC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H21ClO2S2/c1-26-19-9-3-16(4-10-19)22(25)15-23(17-5-11-20(27-2)12-6-17)28-21-13-7-18(24)8-14-21/h3-14,23H,15H2,1-2H3
InChIKey
WLWZENOWLUMONR-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.06714 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.07442 195.4
[M+Na]+ 451.05636 211.3
[M+NH4]+ 446.10096 204.8
[M+K]+ 467.03030 197.7
[M-H]- 427.05986 202.8
[M+Na-2H]- 449.04181 205.4
[M]+ 428.06659 201.4
[M]- 428.06769 201.4
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.