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]+ 430.25881 206.9
[M+Na]+ 452.24075 208.8
[M-H]- 428.24425 212.2
[M+NH4]+ 447.28535 213.8
[M+K]+ 468.21469 205.5
[M+H-H2O]+ 412.24879 195.5
[M+HCOO]- 474.24973 221.4
[M+CH3COO]- 488.26538 227.6
[M+Na-2H]- 450.22620 204.3
[M]+ 429.25098 209.3
[M]- 429.25208 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.