CID 3050047

1-(n-(2-(2-methyl-1-phenoxy)-1-ethyl)piperazino)-1-phenyl-2-butanol dihydrochloride

Structural Information

Molecular Formula
C23H32N2O2
SMILES
CCC(C(C1=CC=CC=C1)N2CCN(CC2)CCOC3=CC=CC=C3C)O
InChI
InChI=1S/C23H32N2O2/c1-3-21(26)23(20-10-5-4-6-11-20)25-15-13-24(14-16-25)17-18-27-22-12-8-7-9-19(22)2/h4-12,21,23,26H,3,13-18H2,1-2H3
InChIKey
ZPHZHAFVSJGNQD-UHFFFAOYSA-N
Compound name
1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24637 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.25365 194.3
[M+Na]+ 391.23559 206.6
[M+NH4]+ 386.28019 201.0
[M+K]+ 407.20953 198.8
[M-H]- 367.23909 198.9
[M+Na-2H]- 389.22104 201.5
[M]+ 368.24582 197.3
[M]- 368.24692 197.3
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.