CID 3066015

1-(3-piperidinopropionyl)-4-(2-hydroxy-3-(alpha-naphthyloxy)propyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C25H35N3O3
SMILES
C1CCN(CC1)CCC(=O)N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O
InChI
InChI=1S/C25H35N3O3/c29-22(20-31-24-10-6-8-21-7-2-3-9-23(21)24)19-27-15-17-28(18-16-27)25(30)11-14-26-12-4-1-5-13-26/h2-3,6-10,22,29H,1,4-5,11-20H2
InChIKey
KGPXEUVUEQALOJ-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.26785 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.27513 205.9
[M+Na]+ 448.25707 204.4
[M-H]- 424.26057 207.4
[M+NH4]+ 443.30167 209.9
[M+K]+ 464.23101 198.8
[M+H-H2O]+ 408.26511 192.6
[M+HCOO]- 470.26605 211.7
[M+CH3COO]- 484.28170 225.0
[M+Na-2H]- 446.24252 203.6
[M]+ 425.26730 198.4
[M]- 425.26840 198.4
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.