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 193.4
[M+Na]+ 391.23559 194.7
[M-H]- 367.23909 196.9
[M+NH4]+ 386.28019 201.1
[M+K]+ 407.20953 189.6
[M+H-H2O]+ 351.24363 181.9
[M+HCOO]- 413.24457 205.7
[M+CH3COO]- 427.26022 216.6
[M+Na-2H]- 389.22104 191.9
[M]+ 368.24582 189.9
[M]- 368.24692 189.9
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.