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]+ 311.175396 175.7
[M+Na]+ 333.157338 180.8
[M-H]- 309.160844 180.3
[M+NH4]+ 328.201943 186.3
[M+K]+ 349.131278 174.8
[M+H-H2O]+ 293.165380 165.0
[M+HCOO]- 355.166321 191.7
[M+CH3COO]- 369.181971 203.6
[M+Na-2H]- 331.142786 177.9
[M]+ 310.16757142 171.8
[M]- 310.16866858 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