CID 2734741

Tri-o-benzyl-d-galactal

Structural Information

Molecular Formula
C27H28O4
SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H](C=CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C27H28O4/c1-4-10-22(11-5-1)18-28-21-26-27(31-20-24-14-8-3-9-15-24)25(16-17-29-26)30-19-23-12-6-2-7-13-23/h1-17,25-27H,18-21H2/t25-,26-,27-/m1/s1
InChIKey
MXYLLYBWXIUMIT-ZONZVBGPSA-N
Compound name
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

54
Patents

416.19876 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20604 205.1
[M+Na]+ 439.18798 221.5
[M+NH4]+ 434.23258 213.3
[M+K]+ 455.16192 210.8
[M-H]- 415.19148 215.4
[M+Na-2H]- 437.17343 216.7
[M]+ 416.19821 210.7
[M]- 416.19931 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe