CID 3076066

4-methoxy-2-(4-(4-methyl-1-piperazinyl)-1-phenylbutyl)phenol dihydrochloride

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CN1CCN(CC1)CCCC(C2=CC=CC=C2)C3=C(C=CC(=C3)OC)O
InChI
InChI=1S/C22H30N2O2/c1-23-13-15-24(16-14-23)12-6-9-20(18-7-4-3-5-8-18)21-17-19(26-2)10-11-22(21)25/h3-5,7-8,10-11,17,20,25H,6,9,12-16H2,1-2H3
InChIKey
MXFOGPHSMMFSSN-UHFFFAOYSA-N
Compound name
4-methoxy-2-[4-(4-methylpiperazin-1-yl)-1-phenylbutyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 189.7
[M+Na]+ 377.219958 192.7
[M-H]- 353.223464 193.8
[M+NH4]+ 372.264563 198.4
[M+K]+ 393.193898 187.3
[M+H-H2O]+ 337.228000 178.4
[M+HCOO]- 399.228941 203.4
[M+CH3COO]- 413.244591 214.0
[M+Na-2H]- 375.205406 189.1
[M]+ 354.23019142 186.9
[M]- 354.23128858 186.9
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.