CID 1716315

3-(4-(2-(2-biphenylyloxy)ethyl)-1-piperazinyl)propanol dihydrochloride

Structural Information

Molecular Formula
C21H28N2O2
SMILES
C1CN(CCN1CCCO)CCOC2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C21H28N2O2/c24-17-6-11-22-12-14-23(15-13-22)16-18-25-21-10-5-4-9-20(21)19-7-2-1-3-8-19/h1-5,7-10,24H,6,11-18H2
InChIKey
SBIJRHPCAYDIEE-UHFFFAOYSA-N
Compound name
3-[4-[2-(2-phenylphenoxy)ethyl]piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.2151 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 186.8
[M+Na]+ 363.20432 200.3
[M+NH4]+ 358.24892 194.1
[M+K]+ 379.17826 191.2
[M-H]- 339.20782 191.8
[M+Na-2H]- 361.18977 195.1
[M]+ 340.21455 190.1
[M]- 340.21565 190.1
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

patents stripe