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]+ 315.19548 177.2
[M+Na]+ 337.17742 182.5
[M-H]- 313.18092 182.2
[M+NH4]+ 332.22202 191.1
[M+K]+ 353.15136 179.2
[M+H-H2O]+ 297.18546 169.5
[M+HCOO]- 359.18640 196.1
[M+CH3COO]- 373.20205 207.1
[M+Na-2H]- 335.16287 179.8
[M]+ 314.18765 180.5
[M]- 314.18875 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.