CID 94771

3,4-bis(4-methoxyphenyl)hexan-3-ol

Structural Information

Molecular Formula
C20H26O3
SMILES
CCC(C1=CC=C(C=C1)OC)C(CC)(C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C20H26O3/c1-5-19(15-7-11-17(22-3)12-8-15)20(21,6-2)16-9-13-18(23-4)14-10-16/h7-14,19,21H,5-6H2,1-4H3
InChIKey
SVTHZCYFDSJXPQ-UHFFFAOYSA-N
Compound name
3,4-bis(4-methoxyphenyl)hexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1882 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.195476 177.2
[M+Na]+ 337.177418 182.5
[M-H]- 313.180924 182.2
[M+NH4]+ 332.222023 191.1
[M+K]+ 353.151358 179.2
[M+H-H2O]+ 297.185460 169.5
[M+HCOO]- 359.186401 196.1
[M+CH3COO]- 373.202051 207.1
[M+Na-2H]- 335.162866 179.8
[M]+ 314.18765142 180.5
[M]- 314.18874858 180.5
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.