CID 24834690

88770-59-6

Structural Information

Molecular Formula
C25H35NO5
SMILES
COC1=CC=C(C=C1)CCC(C2=C(C=CC(=C2OCCN3CCCCC3)OC)OC)O
InChI
InChI=1S/C25H35NO5/c1-28-20-10-7-19(8-11-20)9-12-21(27)24-22(29-2)13-14-23(30-3)25(24)31-18-17-26-15-5-4-6-16-26/h7-8,10-11,13-14,21,27H,4-6,9,12,15-18H2,1-3H3
InChIKey
PXZWUIZRMMMUTB-UHFFFAOYSA-N
Compound name
1-[3,6-dimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.25153 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.258806 206.9
[M+Na]+ 452.240748 208.8
[M-H]- 428.244254 212.2
[M+NH4]+ 447.285353 213.8
[M+K]+ 468.214688 205.5
[M+H-H2O]+ 412.248790 195.5
[M+HCOO]- 474.249731 221.4
[M+CH3COO]- 488.265381 227.6
[M+Na-2H]- 450.226196 204.3
[M]+ 429.25098142 209.3
[M]- 429.25207858 209.3
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.