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]+ 355.23802 189.7
[M+Na]+ 377.21996 192.7
[M-H]- 353.22346 193.8
[M+NH4]+ 372.26456 198.4
[M+K]+ 393.19390 187.3
[M+H-H2O]+ 337.22800 178.4
[M+HCOO]- 399.22894 203.4
[M+CH3COO]- 413.24459 214.0
[M+Na-2H]- 375.20541 189.1
[M]+ 354.23019 186.9
[M]- 354.23129 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.