CID 211158

2-piperazinone, 3,3-diphenyl-

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1CNC(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O/c19-15-16(18-12-11-17-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,18H,11-12H2,(H,17,19)
InChIKey
LZEIQLMRTQWAAC-UHFFFAOYSA-N
Compound name
3,3-diphenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 160.1
[M+Na]+ 275.11549 165.5
[M-H]- 251.11899 163.6
[M+NH4]+ 270.16009 174.0
[M+K]+ 291.08943 159.0
[M+H-H2O]+ 235.12353 150.5
[M+HCOO]- 297.12447 175.6
[M+CH3COO]- 311.14012 169.6
[M+Na-2H]- 273.10094 165.9
[M]+ 252.12572 151.6
[M]- 252.12682 151.6
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