CID 4586064

42575-17-7

Structural Information

Molecular Formula
C22H20OS
SMILES
CC1=CC=C(C=C1)SCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H20OS/c1-17-7-13-21(14-8-17)24-16-15-22(23)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3
InChIKey
VBVHJUVDCFIVRF-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)sulfanyl-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12347 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13075 178.2
[M+Na]+ 355.11269 195.0
[M+NH4]+ 350.15729 188.2
[M+K]+ 371.08663 182.6
[M-H]- 331.11619 186.4
[M+Na-2H]- 353.09814 190.2
[M]+ 332.12292 183.8
[M]- 332.12402 183.8
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.