CID 13248264

1-propanone, 1-(3,6-dimethoxy-2-(2-(1-piperidinyl)ethoxy)phenyl)-3-(4-hydroxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C24H31NO5
SMILES
COC1=C(C(=C(C=C1)OC)OCCN2CCCCC2)C(=O)CCC3=CC=C(C=C3)O
InChI
InChI=1S/C24H31NO5/c1-28-21-12-13-22(29-2)24(30-17-16-25-14-4-3-5-15-25)23(21)20(27)11-8-18-6-9-19(26)10-7-18/h6-7,9-10,12-13,26H,3-5,8,11,14-17H2,1-2H3
InChIKey
VAOPWDXIDDAWHK-UHFFFAOYSA-N
Compound name
1-[3,6-dimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.2202 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.22748 201.4
[M+Na]+ 436.20942 204.1
[M-H]- 412.21292 206.9
[M+NH4]+ 431.25402 208.9
[M+K]+ 452.18336 200.3
[M+H-H2O]+ 396.21746 190.3
[M+HCOO]- 458.21840 216.4
[M+CH3COO]- 472.23405 224.1
[M+Na-2H]- 434.19487 199.4
[M]+ 413.21965 202.8
[M]- 413.22075 202.8
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.