CID 3070066

1-piperazineethanol, alpha-(4-cyclopentylphenyl)-4-methyl-, (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

1
Patents

288.22015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.227426 172.8
[M+Na]+ 311.209368 174.7
[M-H]- 287.212874 176.7
[M+NH4]+ 306.253973 185.9
[M+K]+ 327.183308 170.3
[M+H-H2O]+ 271.217410 163.0
[M+HCOO]- 333.218351 185.8
[M+CH3COO]- 347.234001 180.9
[M+Na-2H]- 309.194816 170.1
[M]+ 288.21960142 165.0
[M]- 288.22069858 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