CID 3070080

85690-03-5

Structural Information

Molecular Formula
C19H30N2O2
SMILES
C1CCC(C1)C2=CC=C(C=C2)C(CN3CCN(CC3)CCO)O
InChI
InChI=1S/C19H30N2O2/c22-14-13-20-9-11-21(12-10-20)15-19(23)18-7-5-17(6-8-18)16-3-1-2-4-16/h5-8,16,19,22-23H,1-4,9-15H2
InChIKey
NURZPQPVXHSGBZ-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.23074 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 180.0
[M+Na]+ 341.219958 180.9
[M-H]- 317.223464 182.3
[M+NH4]+ 336.264563 191.1
[M+K]+ 357.193898 176.0
[M+H-H2O]+ 301.228000 170.2
[M+HCOO]- 363.228941 191.3
[M+CH3COO]- 377.244591 202.0
[M+Na-2H]- 339.205406 176.5
[M]+ 318.23019142 172.1
[M]- 318.23128858 172.1
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

patents stripe