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]+ 393.169656 193.9
[M+Na]+ 415.151598 201.2
[M-H]- 391.155104 204.2
[M+NH4]+ 410.196203 205.9
[M+K]+ 431.125538 197.9
[M+H-H2O]+ 375.159640 185.0
[M+HCOO]- 437.160581 213.6
[M+CH3COO]- 451.176231 219.6
[M+Na-2H]- 413.137046 195.1
[M]+ 392.16183142 199.6
[M]- 392.16292858 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.