CID 3025524

103840-25-1

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H30N2O2/c1-17(2)20-16-21(25)18(3)15-22(20)26-14-13-23-9-11-24(12-10-23)19-7-5-4-6-8-19/h4-8,15-17,25H,9-14H2,1-3H3
InChIKey
RJRVSEDJCZMXML-UHFFFAOYSA-N
Compound name
2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 190.0
[M+Na]+ 377.219958 194.0
[M-H]- 353.223464 194.5
[M+NH4]+ 372.264563 199.1
[M+K]+ 393.193898 188.6
[M+H-H2O]+ 337.228000 179.0
[M+HCOO]- 399.228941 203.7
[M+CH3COO]- 413.244591 215.2
[M+Na-2H]- 375.205406 188.7
[M]+ 354.23019142 187.7
[M]- 354.23128858 187.7
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.