CID 3070080

Alpha-(4-cyclopentylphenyl)-1,4-piperazinediethanol (z)-2-butenedioate (1:2)

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

0
Patents

318.23074 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 180.0
[M+Na]+ 341.21996 180.9
[M-H]- 317.22346 182.3
[M+NH4]+ 336.26456 191.1
[M+K]+ 357.19390 176.0
[M+H-H2O]+ 301.22800 170.2
[M+HCOO]- 363.22894 191.3
[M+CH3COO]- 377.24459 202.0
[M+Na-2H]- 339.20541 176.5
[M]+ 318.23019 172.1
[M]- 318.23129 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