CID 4662603

882748-92-7

Structural Information

Molecular Formula
C22H26O2S2
SMILES
CC1=CC=C(C=C1)C(=O)CCSCCSCCC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C22H26O2S2/c1-17-3-7-19(8-4-17)21(23)11-13-25-15-16-26-14-12-22(24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3
InChIKey
SYPDRRAVZMXPSU-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-[2-[3-(4-methylphenyl)-3-oxopropyl]sulfanylethylsulfanyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.13742 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14470 190.8
[M+Na]+ 409.12664 195.6
[M-H]- 385.13014 195.9
[M+NH4]+ 404.17124 202.9
[M+K]+ 425.10058 188.4
[M+H-H2O]+ 369.13468 182.4
[M+HCOO]- 431.13562 200.5
[M+CH3COO]- 445.15127 219.8
[M+Na-2H]- 407.11209 187.0
[M]+ 386.13687 196.5
[M]- 386.13797 196.5
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.