CID 24834691

88770-58-5

Structural Information

Molecular Formula
C25H35NO4
SMILES
CC1=CC=C(C=C1)CCC(C2=C(C=CC(=C2OCCN3CCCCC3)OC)OC)O
InChI
InChI=1S/C25H35NO4/c1-19-7-9-20(10-8-19)11-12-21(27)24-22(28-2)13-14-23(29-3)25(24)30-18-17-26-15-5-4-6-16-26/h7-10,13-14,21,27H,4-6,11-12,15-18H2,1-3H3
InChIKey
WUDDFGMNNXIHIE-UHFFFAOYSA-N
Compound name
1-[3,6-dimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-(4-methylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.25662 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.263896 204.4
[M+Na]+ 436.245838 206.6
[M-H]- 412.249344 209.7
[M+NH4]+ 431.290443 212.1
[M+K]+ 452.219778 202.4
[M+H-H2O]+ 396.253880 193.2
[M+HCOO]- 458.254821 218.7
[M+CH3COO]- 472.270471 225.5
[M+Na-2H]- 434.231286 201.6
[M]+ 413.25607142 205.4
[M]- 413.25716858 205.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.