CID 10896107

99409-34-4

Structural Information

Molecular Formula
C29H34O4S
SMILES
CCS[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C29H34O4S/c1-3-34-29-28(32-21-25-17-11-6-12-18-25)27(31-20-24-15-9-5-10-16-24)26(22(2)33-29)30-19-23-13-7-4-8-14-23/h4-18,22,26-29H,3,19-21H2,1-2H3/t22-,26+,27+,28-,29+/m0/s1
InChIKey
RZVKVTBAQRMTEH-DQPHOHOGSA-N
Compound name
(2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

478.21777 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.22505 216.9
[M+Na]+ 501.20699 232.3
[M+NH4]+ 496.25159 225.1
[M+K]+ 517.18093 220.0
[M-H]- 477.21049 227.3
[M+Na-2H]- 499.19244 226.7
[M]+ 478.21722 222.9
[M]- 478.21832 222.9
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