CID 3050036

1-(n-(2-phenoxy-1-ethyl)piperazino)-1-phenyl-2-propanol dihydrochloride

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CC(C(C1=CC=CC=C1)N2CCN(CC2)CCOC3=CC=CC=C3)O
InChI
InChI=1S/C21H28N2O2/c1-18(24)21(19-8-4-2-5-9-19)23-14-12-22(13-15-23)16-17-25-20-10-6-3-7-11-20/h2-11,18,21,24H,12-17H2,1H3
InChIKey
KCZDULBSPFUKFC-UHFFFAOYSA-N
Compound name
1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 184.3
[M+Na]+ 363.204318 185.5
[M-H]- 339.207824 187.8
[M+NH4]+ 358.248923 192.8
[M+K]+ 379.178258 180.8
[M+H-H2O]+ 323.212360 173.0
[M+HCOO]- 385.213301 197.3
[M+CH3COO]- 399.228951 209.5
[M+Na-2H]- 361.189766 184.6
[M]+ 340.21455142 179.7
[M]- 340.21564858 179.7
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