CID 5280289

Chembl4559077

Structural Information

Molecular Formula
C24H23N3O4
SMILES
CC1CN(CCN1C(=O)C(=O)C2=NC3=C(C=C2)C=C(C=C3)OC)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H23N3O4/c1-16-15-26(23(29)17-6-4-3-5-7-17)12-13-27(16)24(30)22(28)21-10-8-18-14-19(31-2)9-11-20(18)25-21/h3-11,14,16H,12-13,15H2,1-2H3
InChIKey
MWOOYFPOFNSWFP-UHFFFAOYSA-N
Compound name
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-methoxyquinolin-2-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.16885 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17613 200.7
[M+Na]+ 440.15807 205.2
[M-H]- 416.16157 206.1
[M+NH4]+ 435.20267 206.4
[M+K]+ 456.13201 200.2
[M+H-H2O]+ 400.16611 188.1
[M+HCOO]- 462.16705 212.2
[M+CH3COO]- 476.18270 226.9
[M+Na-2H]- 438.14352 200.1
[M]+ 417.16830 199.2
[M]- 417.16940 199.2
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.