CID 46183

Acetophenone, 3'-((3-(4-(3,4-dimethoxyphenyl)piperazinyl)-2-hydroxy)propoxy)-, dihydrochloride

Structural Information

Molecular Formula
C23H30N2O5
SMILES
CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC(=C(C=C3)OC)OC)O
InChI
InChI=1S/C23H30N2O5/c1-17(26)18-5-4-6-21(13-18)30-16-20(27)15-24-9-11-25(12-10-24)19-7-8-22(28-2)23(14-19)29-3/h4-8,13-14,20,27H,9-12,15-16H2,1-3H3
InChIKey
KDJMEVQBZMERRC-UHFFFAOYSA-N
Compound name
1-[3-[3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.21548 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.22276 201.3
[M+Na]+ 437.20470 212.9
[M+NH4]+ 432.24930 205.9
[M+K]+ 453.17864 207.2
[M-H]- 413.20820 204.3
[M+Na-2H]- 435.19015 206.7
[M]+ 414.21493 203.6
[M]- 414.21603 203.6
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.