CID 11004289

(3r,4r,5r)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)dihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C26H26O5
SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H](C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C26H26O5/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/h1-15,23-25H,16-19H2/t23-,24-,25-/m1/s1
InChIKey
LDHBSABBBAUMCZ-UBFVSLLYSA-N
Compound name
(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

376
Patents

418.178 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18528 201.1
[M+Na]+ 441.16722 205.2
[M-H]- 417.17072 213.5
[M+NH4]+ 436.21182 210.4
[M+K]+ 457.14116 201.9
[M+H-H2O]+ 401.17526 190.4
[M+HCOO]- 463.17620 221.8
[M+CH3COO]- 477.19185 223.2
[M+Na-2H]- 439.15267 201.1
[M]+ 418.17745 204.6
[M]- 418.17855 204.6
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