CID 201897

1-(2-(2-biphenylyloxy)ethyl)-4-methylpiperazine dihydrochloride hemihydrate

Structural Information

Molecular Formula
C19H24N2O
SMILES
CN1CCN(CC1)CCOC2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C19H24N2O/c1-20-11-13-21(14-12-20)15-16-22-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKey
XLSUKOJZGMOVBW-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-(2-phenylphenoxy)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

296.18887 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 173.1
[M+Na]+ 319.17809 177.4
[M-H]- 295.18159 178.5
[M+NH4]+ 314.22269 184.7
[M+K]+ 335.15203 172.2
[M+H-H2O]+ 279.18613 161.8
[M+HCOO]- 341.18707 190.1
[M+CH3COO]- 355.20272 182.3
[M+Na-2H]- 317.16354 176.3
[M]+ 296.18832 169.8
[M]- 296.18942 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe