CID 3061519

1-(3-(2-ethoxyphenoxy)-3-phenylpropyl)-4-methylpiperazine dihydrochloride hydrate

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CCOC1=CC=CC=C1OC(CCN2CCN(CC2)C)C3=CC=CC=C3
InChI
InChI=1S/C22H30N2O2/c1-3-25-21-11-7-8-12-22(21)26-20(19-9-5-4-6-10-19)13-14-24-17-15-23(2)16-18-24/h4-12,20H,3,13-18H2,1-2H3
InChIKey
MUZUHEGUCNOBRX-UHFFFAOYSA-N
Compound name
1-[3-(2-ethoxyphenoxy)-3-phenylpropyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

354.23074 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 189.3
[M+Na]+ 377.219958 191.8
[M-H]- 353.223464 194.3
[M+NH4]+ 372.264563 198.4
[M+K]+ 393.193898 187.2
[M+H-H2O]+ 337.228000 177.4
[M+HCOO]- 399.228941 204.5
[M+CH3COO]- 413.244591 215.2
[M+Na-2H]- 375.205406 189.9
[M]+ 354.23019142 187.9
[M]- 354.23128858 187.9
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

patents stripe