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]+ 354.217606 186.2
[M+Na]+ 376.199548 186.6
[M-H]- 352.203054 189.3
[M+NH4]+ 371.244153 193.4
[M+K]+ 392.173488 181.6
[M+H-H2O]+ 336.207590 175.1
[M+HCOO]- 398.208531 198.9
[M+CH3COO]- 412.224181 214.3
[M+Na-2H]- 374.184996 185.2
[M]+ 353.20978142 178.8
[M]- 353.21087858 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.