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

2
Patents

354.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 190.0
[M+Na]+ 377.21996 194.0
[M-H]- 353.22346 194.5
[M+NH4]+ 372.26456 199.1
[M+K]+ 393.19390 188.6
[M+H-H2O]+ 337.22800 179.0
[M+HCOO]- 399.22894 203.7
[M+CH3COO]- 413.24459 215.2
[M+Na-2H]- 375.20541 188.7
[M]+ 354.23019 187.7
[M]- 354.23129 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.