CID 3070066

Alpha-(4-cyclopentylphenyl)-4-methyl-1-piperazineethanol (z)-2-butenedioate (1:2)

Structural Information

Molecular Formula
C18H28N2O
SMILES
CN1CCN(CC1)CC(C2=CC=C(C=C2)C3CCCC3)O
InChI
InChI=1S/C18H28N2O/c1-19-10-12-20(13-11-19)14-18(21)17-8-6-16(7-9-17)15-4-2-3-5-15/h6-9,15,18,21H,2-5,10-14H2,1H3
InChIKey
ZHALKFDDTVRRCV-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 173.7
[M+Na]+ 311.20937 184.1
[M+NH4]+ 306.25397 181.6
[M+K]+ 327.18331 178.8
[M-H]- 287.21287 177.8
[M+Na-2H]- 309.19482 179.3
[M]+ 288.21960 176.1
[M]- 288.22070 176.1
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.