CID 54598063

1-[(2,6-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CC1=C(C(=CC=C1)C)OCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C22H30N2O2/c1-18-8-6-9-19(2)22(18)26-17-7-12-23-13-15-24(16-14-23)20-10-4-5-11-21(20)25-3/h4-6,8-11H,7,12-17H2,1-3H3
InChIKey
SVPBRNHKKDLPOM-UHFFFAOYSA-N
Compound name
1-[3-(2,6-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 190.2
[M+Na]+ 377.219958 194.9
[M-H]- 353.223464 195.9
[M+NH4]+ 372.264563 200.0
[M+K]+ 393.193898 189.8
[M+H-H2O]+ 337.228000 178.5
[M+HCOO]- 399.228941 206.3
[M+CH3COO]- 413.244591 216.7
[M+Na-2H]- 375.205406 190.3
[M]+ 354.23019142 190.2
[M]- 354.23128858 190.2
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