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 172.8
[M+Na]+ 311.20937 174.7
[M-H]- 287.21287 176.7
[M+NH4]+ 306.25397 185.9
[M+K]+ 327.18331 170.3
[M+H-H2O]+ 271.21741 163.0
[M+HCOO]- 333.21835 185.8
[M+CH3COO]- 347.23400 180.9
[M+Na-2H]- 309.19482 170.1
[M]+ 288.21960 165.0
[M]- 288.22070 165.0
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

patents stripe