CID 3543159

882748-85-8

Structural Information

Molecular Formula
C22H26O4S2
SMILES
COC1=CC=C(C=C1)C(=O)CCSCCSCCC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C22H26O4S2/c1-25-19-7-3-17(4-8-19)21(23)11-13-27-15-16-28-14-12-22(24)18-5-9-20(26-2)10-6-18/h3-10H,11-16H2,1-2H3
InChIKey
VDVOKOYRYFOZRT-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[2-[3-(4-methoxyphenyl)-3-oxopropyl]sulfanylethylsulfanyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.12726 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13454 198.3
[M+Na]+ 441.11648 202.4
[M-H]- 417.11998 203.3
[M+NH4]+ 436.16108 208.8
[M+K]+ 457.09042 196.4
[M+H-H2O]+ 401.12452 189.4
[M+HCOO]- 463.12546 208.4
[M+CH3COO]- 477.14111 223.6
[M+Na-2H]- 439.10193 195.0
[M]+ 418.12671 206.7
[M]- 418.12781 206.7
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.