CID 10938702

16838-89-4

Structural Information

Molecular Formula
C26H28O5
SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H](C(O2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C26H28O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25-,26?/m1/s1
InChIKey
NAQUAXSCBJPECG-NITSXXPLSA-N
Compound name
(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

420.19366 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20094 201.3
[M+Na]+ 443.18288 204.7
[M-H]- 419.18638 212.3
[M+NH4]+ 438.22748 209.9
[M+K]+ 459.15682 201.1
[M+H-H2O]+ 403.19092 190.9
[M+HCOO]- 465.19186 220.4
[M+CH3COO]- 479.20751 221.6
[M+Na-2H]- 441.16833 201.1
[M]+ 420.19311 203.8
[M]- 420.19421 203.8
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