CID 13356681

(s)-(-)-1-benzoyloxy-2-benzyloxy-3-tosyloxypropane

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 205.0
[M+Na]+ 463.11858 209.0
[M-H]- 439.12208 213.7
[M+NH4]+ 458.16318 213.3
[M+K]+ 479.09252 205.3
[M+H-H2O]+ 423.12662 194.8
[M+HCOO]- 485.12756 220.3
[M+CH3COO]- 499.14321 223.9
[M+Na-2H]- 461.10403 206.3
[M]+ 440.12881 211.6
[M]- 440.12991 211.6
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.