CID 3062955

Alpha-(2-hydroxy-1-phenylethyl)-4-phenyl-1-piperazinepropanamide

Structural Information

Molecular Formula
C21H27N3O2
SMILES
C1CN(CCN1CC(C(CO)C2=CC=CC=C2)C(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O2/c22-21(26)19(20(16-25)17-7-3-1-4-8-17)15-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10,19-20,25H,11-16H2,(H2,22,26)
InChIKey
WBLUSVFZYPWFJT-UHFFFAOYSA-N
Compound name
4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 186.2
[M+Na]+ 376.19955 186.6
[M-H]- 352.20305 189.3
[M+NH4]+ 371.24415 193.4
[M+K]+ 392.17349 181.6
[M+H-H2O]+ 336.20759 175.1
[M+HCOO]- 398.20853 198.9
[M+CH3COO]- 412.22418 214.3
[M+Na-2H]- 374.18500 185.2
[M]+ 353.20978 178.8
[M]- 353.21088 178.8
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.