CID 3065203

107235-74-5

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CCN1C(CN(CC1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c1-2-21-17(15-9-5-3-6-10-15)13-20(14-18(21)22)19(23)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKey
ZITVKBFUDUNYPT-UHFFFAOYSA-N
Compound name
4-benzoyl-1-ethyl-6-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 174.7
[M+Na]+ 331.14169 189.3
[M+NH4]+ 326.18629 182.0
[M+K]+ 347.11563 181.3
[M-H]- 307.14519 179.7
[M+Na-2H]- 329.12714 183.5
[M]+ 308.15192 178.2
[M]- 308.15302 178.2
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.