CID 383852

5-benzofuranol, 2-(2,4-dimethoxyphenyl)-2,3-dihydro-3-methyl-6-(phenylmethoxy)-, (2s,3s)-

Structural Information

Molecular Formula
C24H24O5
SMILES
C[C@@H]1[C@H](OC2=CC(=C(C=C12)O)OCC3=CC=CC=C3)C4=C(C=C(C=C4)OC)OC
InChI
InChI=1S/C24H24O5/c1-15-19-12-20(25)23(28-14-16-7-5-4-6-8-16)13-22(19)29-24(15)18-10-9-17(26-2)11-21(18)27-3/h4-13,15,24-25H,14H2,1-3H3/t15-,24-/m0/s1
InChIKey
DULSSFQGNKEASB-OWJWWREXSA-N
Compound name
(2S,3S)-2-(2,4-dimethoxyphenyl)-3-methyl-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

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.169656 194.3
[M+Na]+ 415.151598 202.4
[M-H]- 391.155104 205.0
[M+NH4]+ 410.196203 206.6
[M+K]+ 431.125538 199.2
[M+H-H2O]+ 375.159640 185.6
[M+HCOO]- 437.160581 214.0
[M+CH3COO]- 451.176231 221.0
[M+Na-2H]- 413.137046 194.8
[M]+ 392.16183142 200.4
[M]- 392.16292858 200.4
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.