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

3
Patents

252.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 160.1
[M+Na]+ 275.115488 165.5
[M-H]- 251.118994 163.6
[M+NH4]+ 270.160093 174.0
[M+K]+ 291.089428 159.0
[M+H-H2O]+ 235.123530 150.5
[M+HCOO]- 297.124471 175.6
[M+CH3COO]- 311.140121 169.6
[M+Na-2H]- 273.100936 165.9
[M]+ 252.12572142 151.6
[M]- 252.12681858 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