CID 383848

184900-70-7

Structural Information

Molecular Formula
C24H24O5
SMILES
COC[C@@H]1[C@H](OC2=CC(=C(C=C12)O)OCC3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H24O5/c1-26-15-20-19-12-21(25)23(28-14-16-6-4-3-5-7-16)13-22(19)29-24(20)17-8-10-18(27-2)11-9-17/h3-13,20,24-25H,14-15H2,1-2H3/t20-,24+/m0/s1
InChIKey
ZUIHDAHVINYZFS-GBXCKJPGSA-N
Compound name
(2S,3R)-3-(methoxymethyl)-2-(4-methoxyphenyl)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.16238 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.16966 193.9
[M+Na]+ 415.15160 201.2
[M-H]- 391.15510 204.2
[M+NH4]+ 410.19620 205.9
[M+K]+ 431.12554 197.9
[M+H-H2O]+ 375.15964 185.0
[M+HCOO]- 437.16058 213.6
[M+CH3COO]- 451.17623 219.6
[M+Na-2H]- 413.13705 195.1
[M]+ 392.16183 199.6
[M]- 392.16293 199.6
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

No patent data available for this compound.