CID 5280313

Chembl4515136

Structural Information

Molecular Formula
C23H20N2O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C23H20N2O3/c26-21(20-11-10-17-6-4-5-9-19(17)16-20)23(28)25-14-12-24(13-15-25)22(27)18-7-2-1-3-8-18/h1-11,16H,12-15H2
InChIKey
RMTGEJMSAQEYGS-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.1474 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15468 188.6
[M+Na]+ 395.13662 192.0
[M-H]- 371.14012 194.8
[M+NH4]+ 390.18122 197.1
[M+K]+ 411.11056 186.7
[M+H-H2O]+ 355.14466 176.8
[M+HCOO]- 417.14560 201.7
[M+CH3COO]- 431.16125 196.1
[M+Na-2H]- 393.12207 189.7
[M]+ 372.14685 184.0
[M]- 372.14795 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.