CID 13356681

109371-33-7

Structural Information

Molecular Formula
C24H24O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](COC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C24H24O6S/c1-19-12-14-23(15-13-19)31(26,27)30-18-22(28-16-20-8-4-2-5-9-20)17-29-24(25)21-10-6-3-7-11-21/h2-15,22H,16-18H2,1H3/t22-/m0/s1
InChIKey
PXMMPVOAHGXZSG-QFIPXVFZSA-N
Compound name
[(2S)-3-(4-methylphenyl)sulfonyloxy-2-phenylmethoxypropyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.12936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.13664 201.0
[M+Na]+ 463.11858 213.6
[M+NH4]+ 458.16318 206.6
[M+K]+ 479.09252 205.2
[M-H]- 439.12208 205.0
[M+Na-2H]- 461.10403 210.1
[M]+ 440.12881 204.4
[M]- 440.12991 204.4
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.