CID 21599360

6-hydroxy-1-(2-phenylethyl)-4-(phenylmethyl)-2-piperazinone

Structural Information

Molecular Formula
C19H22N2O2
SMILES
C1C(N(C(=O)CN1CC2=CC=CC=C2)CCC3=CC=CC=C3)O
InChI
InChI=1S/C19H22N2O2/c22-18-14-20(13-17-9-5-2-6-10-17)15-19(23)21(18)12-11-16-7-3-1-4-8-16/h1-10,18,22H,11-15H2
InChIKey
AYADAOQOGRZWML-UHFFFAOYSA-N
Compound name
4-benzyl-6-hydroxy-1-(2-phenylethyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

310.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 175.7
[M+Na]+ 333.15734 180.8
[M-H]- 309.16084 180.3
[M+NH4]+ 328.20194 186.3
[M+K]+ 349.13128 174.8
[M+H-H2O]+ 293.16538 165.0
[M+HCOO]- 355.16632 191.7
[M+CH3COO]- 369.18197 203.6
[M+Na-2H]- 331.14279 177.9
[M]+ 310.16757 171.8
[M]- 310.16867 171.8
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

patents stripe