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]+ 393.16966 194.3
[M+Na]+ 415.15160 202.4
[M-H]- 391.15510 205.0
[M+NH4]+ 410.19620 206.6
[M+K]+ 431.12554 199.2
[M+H-H2O]+ 375.15964 185.6
[M+HCOO]- 437.16058 214.0
[M+CH3COO]- 451.17623 221.0
[M+Na-2H]- 413.13705 194.8
[M]+ 392.16183 200.4
[M]- 392.16293 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.