CID 3011293

Tetra-o-benzyl-alditol 15

Structural Information

Molecular Formula
C32H34O4
SMILES
C1=CC=C(C=C1)C[C@H]([C@H]([C@@H]([C@@H](CC2=CC=CC=C2)OCC3=CC=CC=C3)O)O)OCC4=CC=CC=C4
InChI
InChI=1S/C32H34O4/c33-31(29(21-25-13-5-1-6-14-25)35-23-27-17-9-3-10-18-27)32(34)30(22-26-15-7-2-8-16-26)36-24-28-19-11-4-12-20-28/h1-20,29-34H,21-24H2/t29-,30-,31-,32-/m1/s1
InChIKey
UCGMCPKWNDAGPA-SEVDZJIVSA-N
Compound name
(2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

482.2457 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.25298 220.5
[M+Na]+ 505.23492 218.4
[M-H]- 481.23842 227.5
[M+NH4]+ 500.27952 223.7
[M+K]+ 521.20886 213.0
[M+H-H2O]+ 465.24296 208.3
[M+HCOO]- 527.24390 234.3
[M+CH3COO]- 541.25955 233.6
[M+Na-2H]- 503.22037 218.3
[M]+ 482.24515 219.0
[M]- 482.24625 219.0
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

No patent data available for this compound.