CID 49844061

882878-66-2

Structural Information

Molecular Formula
C18H22O4S
SMILES
CC1=CC(=C(C=C1)OC)C(CCOS(=O)(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C18H22O4S/c1-14-9-10-18(21-2)17(13-14)16(11-12-22-23(3,19)20)15-7-5-4-6-8-15/h4-10,13,16H,11-12H2,1-3H3
InChIKey
JOIVYXLJSDLFGQ-UHFFFAOYSA-N
Compound name
[3-(2-methoxy-5-methylphenyl)-3-phenylpropyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

334.12387 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13115 177.2
[M+Na]+ 357.11309 189.9
[M+NH4]+ 352.15769 184.2
[M+K]+ 373.08703 181.5
[M-H]- 333.11659 180.1
[M+Na-2H]- 355.09854 184.4
[M]+ 334.12332 180.4
[M]- 334.12442 180.4
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

patents stripe