CID 53393309

Rac-(5r,6s)-5,6-diphenylpiperazin-2-one

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1C(=O)N[C@@H]([C@@H](N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O/c19-14-11-17-15(12-7-3-1-4-8-12)16(18-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2,(H,18,19)/t15-,16+/m0/s1
InChIKey
OXNZYVLTFNKTNK-JKSUJKDBSA-N
Compound name
(5S,6R)-5,6-diphenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 159.2
[M+Na]+ 275.115488 164.5
[M-H]- 251.118994 162.7
[M+NH4]+ 270.160093 171.3
[M+K]+ 291.089428 157.6
[M+H-H2O]+ 235.123530 149.6
[M+HCOO]- 297.124471 174.6
[M+CH3COO]- 311.140121 168.6
[M+Na-2H]- 273.100936 163.4
[M]+ 252.12572142 150.8
[M]- 252.12681858 150.8
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.