CID 5280261

Chembl4466199

Structural Information

Molecular Formula
C21H18N4O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=NC4=C(C=C3)C=NC=C4
InChI
InChI=1S/C21H18N4O3/c26-19(18-7-6-16-14-22-9-8-17(16)23-18)21(28)25-12-10-24(11-13-25)20(27)15-4-2-1-3-5-15/h1-9,14H,10-13H2
InChIKey
LANSBYRLYZALMC-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(1,6-naphthyridin-2-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.13788 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14516 188.5
[M+Na]+ 397.12710 192.8
[M-H]- 373.13060 192.3
[M+NH4]+ 392.17170 194.0
[M+K]+ 413.10104 187.1
[M+H-H2O]+ 357.13514 175.4
[M+HCOO]- 419.13608 199.5
[M+CH3COO]- 433.15173 195.3
[M+Na-2H]- 395.11255 190.9
[M]+ 374.13733 184.3
[M]- 374.13843 184.3
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.