CID 55389

Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (z)-2-butenedioate (1:2)

Structural Information

Molecular Formula
C19H28N2O2
SMILES
C1CCC(C1)C2=CC=C(C=C2)C(=O)CN3CCN(CC3)CCO
InChI
InChI=1S/C19H28N2O2/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/h5-8,16,22H,1-4,9-15H2
InChIKey
IUZSEABJAGYMML-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.22238 179.1
[M+Na]+ 339.20432 180.7
[M-H]- 315.20782 182.8
[M+NH4]+ 334.24892 190.9
[M+K]+ 355.17826 176.0
[M+H-H2O]+ 299.21236 169.0
[M+HCOO]- 361.21330 192.1
[M+CH3COO]- 375.22895 203.7
[M+Na-2H]- 337.18977 176.0
[M]+ 316.21455 172.3
[M]- 316.21565 172.3
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