CID 6096862

1-(4-benzoyl-2-methyl-piperazin-1-yl)-2-[4-hydroxy-6-(trifluoromethoxy)-3-quinolyl]ethane-1,2-dione

Structural Information

Molecular Formula
C24H20F3N3O5
SMILES
CC1CN(CCN1C(=O)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)OC(F)(F)F)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H20F3N3O5/c1-14-13-29(22(33)15-5-3-2-4-6-15)9-10-30(14)23(34)21(32)18-12-28-19-8-7-16(35-24(25,26)27)11-17(19)20(18)31/h2-8,11-12,14H,9-10,13H2,1H3,(H,28,31)
InChIKey
TUSQZBKWYOQUSI-UHFFFAOYSA-N
Compound name
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-oxo-6-(trifluoromethoxy)-1H-quinolin-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.1355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.14278 212.9
[M+Na]+ 510.12472 218.5
[M-H]- 486.12822 213.7
[M+NH4]+ 505.16932 215.1
[M+K]+ 526.09866 212.4
[M+H-H2O]+ 470.13276 198.7
[M+HCOO]- 532.13370 218.3
[M+CH3COO]- 546.14935 235.3
[M+Na-2H]- 508.11017 210.8
[M]+ 487.13495 207.3
[M]- 487.13605 207.3
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.