CID 145892

1-(3,4-dimethoxyphenyl)-3-[4-[5-[4-[3-(3,4-dimethoxyphenyl)-3-hydroxypropoxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol

Structural Information

Molecular Formula
C42H52O11
SMILES
CC1C(C(OC1C2=CC(=C(C=C2)OCCC(C3=CC(=C(C=C3)OC)OC)O)OC)C4=CC(=C(C=C4)OCCC(C5=CC(=C(C=C5)OC)OC)O)OC)C
InChI
InChI=1S/C42H52O11/c1-25-26(2)42(30-12-16-36(40(24-30)50-8)52-20-18-32(44)28-10-14-34(46-4)38(22-28)48-6)53-41(25)29-11-15-35(39(23-29)49-7)51-19-17-31(43)27-9-13-33(45-3)37(21-27)47-5/h9-16,21-26,31-32,41-44H,17-20H2,1-8H3
InChIKey
UOJVSXNASPZQFU-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-3-[4-[5-[4-[3-(3,4-dimethoxyphenyl)-3-hydroxypropoxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

732.35095 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.35823 278.0
[M+Na]+ 755.34017 277.6
[M-H]- 731.34367 290.9
[M+NH4]+ 750.38477 273.0
[M+K]+ 771.31411 279.9
[M+H-H2O]+ 715.34821 264.6
[M+HCOO]- 777.34915 288.9
[M+CH3COO]- 791.36480 285.9
[M+Na-2H]- 753.32562 266.2
[M]+ 732.35040 291.0
[M]- 732.35150 291.0
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.