CID 3062959

4-(3-chlorophenyl)-alpha-(2-hydroxy-1-phenylethyl)-1-piperazinepropanamide

Structural Information

Molecular Formula
C21H26ClN3O2
SMILES
C1CN(CCN1CC(C(CO)C2=CC=CC=C2)C(=O)N)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H26ClN3O2/c22-17-7-4-8-18(13-17)25-11-9-24(10-12-25)14-19(21(23)27)20(15-26)16-5-2-1-3-6-16/h1-8,13,19-20,26H,9-12,14-15H2,(H2,23,27)
InChIKey
RADZGTQXNKSAHI-UHFFFAOYSA-N
Compound name
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-3-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.17136 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17864 193.2
[M+Na]+ 410.16058 204.9
[M+NH4]+ 405.20518 199.4
[M+K]+ 426.13452 198.1
[M-H]- 386.16408 197.5
[M+Na-2H]- 408.14603 199.8
[M]+ 387.17081 196.1
[M]- 387.17191 196.1
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

No patent data available for this compound.