CID 5280314

1-(4-benzoyl-2-methyl-piperazin-1-yl)-2-(2-naphthyl)ethane-1,2-dione

Structural Information

Molecular Formula
C24H22N2O3
SMILES
CC1CN(CCN1C(=O)C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H22N2O3/c1-17-16-25(23(28)19-8-3-2-4-9-19)13-14-26(17)24(29)22(27)21-12-11-18-7-5-6-10-20(18)15-21/h2-12,15,17H,13-14,16H2,1H3
InChIKey
AEMGJWOSCUGJNT-UHFFFAOYSA-N
Compound name
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

386.16306 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17034 193.3
[M+Na]+ 409.15228 197.2
[M-H]- 385.15578 199.7
[M+NH4]+ 404.19688 201.5
[M+K]+ 425.12622 191.7
[M+H-H2O]+ 369.16032 181.5
[M+HCOO]- 431.16126 206.0
[M+CH3COO]- 445.17691 200.7
[M+Na-2H]- 407.13773 193.1
[M]+ 386.16251 189.5
[M]- 386.16361 189.5
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.