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]+ 341.222376 184.8
[M+Na]+ 363.204318 187.6
[M-H]- 339.207824 188.5
[M+NH4]+ 358.248923 193.8
[M+K]+ 379.178258 181.8
[M+H-H2O]+ 323.212360 173.2
[M+HCOO]- 385.213301 199.8
[M+CH3COO]- 399.228951 209.0
[M+Na-2H]- 361.189766 186.6
[M]+ 340.21455142 181.8
[M]- 340.21564858 181.8
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

patents stripe