CID 113736

1-(4-(3,4-dimethylphenyl)piperazinyl)-3-(p-cymen-3-yloxy)-2-propanol dihydrochloride

Structural Information

Molecular Formula
C25H36N2O2
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)C3=CC(=C(C=C3)C)C)O
InChI
InChI=1S/C25H36N2O2/c1-18(2)24-9-6-19(3)14-25(24)29-17-23(28)16-26-10-12-27(13-11-26)22-8-7-20(4)21(5)15-22/h6-9,14-15,18,23,28H,10-13,16-17H2,1-5H3
InChIKey
SOLUCBIVRXTCCP-UHFFFAOYSA-N
Compound name
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.27768 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.28496 203.2
[M+Na]+ 419.26690 216.2
[M+NH4]+ 414.31150 209.6
[M+K]+ 435.24084 208.5
[M-H]- 395.27040 207.9
[M+Na-2H]- 417.25235 209.2
[M]+ 396.27713 206.4
[M]- 396.27823 206.4
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.