CID 13248268

Alpha-(3,6-dimethoxy-2-(2-(1-piperidinyl)ethoxy)phenyl)benzenepropanol

Structural Information

Molecular Formula
C24H33NO4
SMILES
COC1=C(C(=C(C=C1)OC)OCCN2CCCCC2)C(CCC3=CC=CC=C3)O
InChI
InChI=1S/C24H33NO4/c1-27-21-13-14-22(28-2)24(29-18-17-25-15-7-4-8-16-25)23(21)20(26)12-11-19-9-5-3-6-10-19/h3,5-6,9-10,13-14,20,26H,4,7-8,11-12,15-18H2,1-2H3
InChIKey
HQPWUFYMPHATSO-UHFFFAOYSA-N
Compound name
1-[3,6-dimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.24097 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.24825 199.8
[M+Na]+ 422.23019 201.5
[M-H]- 398.23369 204.8
[M+NH4]+ 417.27479 207.7
[M+K]+ 438.20413 197.4
[M+H-H2O]+ 382.23823 188.6
[M+HCOO]- 444.23917 214.4
[M+CH3COO]- 458.25482 221.3
[M+Na-2H]- 420.21564 198.2
[M]+ 399.24042 199.9
[M]- 399.24152 199.9
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.