CID 481132

Chembl332006

Structural Information

Molecular Formula
C20H19FN4O3
SMILES
CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)F)C(=O)O
InChI
InChI=1S/C20H19FN4O3/c1-23-12-14(20(27)28)19(26)13-10-15(21)17(11-16(13)23)24-6-8-25(9-7-24)18-4-2-3-5-22-18/h2-5,10-12H,6-9H2,1H3,(H,27,28)
InChIKey
LHDJWUNMQLWBJR-UHFFFAOYSA-N
Compound name
6-fluoro-1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.1441 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15138 193.6
[M+Na]+ 405.13332 201.9
[M-H]- 381.13682 196.2
[M+NH4]+ 400.17792 199.5
[M+K]+ 421.10726 194.6
[M+H-H2O]+ 365.14136 180.3
[M+HCOO]- 427.14230 204.0
[M+CH3COO]- 441.15795 200.8
[M+Na-2H]- 403.11877 194.2
[M]+ 382.14355 190.0
[M]- 382.14465 190.0
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.