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 184.8
[M+Na]+ 363.20432 187.6
[M-H]- 339.20782 188.5
[M+NH4]+ 358.24892 193.8
[M+K]+ 379.17826 181.8
[M+H-H2O]+ 323.21236 173.2
[M+HCOO]- 385.21330 199.8
[M+CH3COO]- 399.22895 209.0
[M+Na-2H]- 361.18977 186.6
[M]+ 340.21455 181.8
[M]- 340.21565 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