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

0
Patents

354.23074 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 189.3
[M+Na]+ 377.21996 191.8
[M-H]- 353.22346 194.3
[M+NH4]+ 372.26456 198.4
[M+K]+ 393.19390 187.2
[M+H-H2O]+ 337.22800 177.4
[M+HCOO]- 399.22894 204.5
[M+CH3COO]- 413.24459 215.2
[M+Na-2H]- 375.20541 189.9
[M]+ 354.23019 187.9
[M]- 354.23129 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