CID 463746

98106-13-9

Structural Information

Molecular Formula
C20H18FN3O3
SMILES
C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F
InChI
InChI=1S/C20H18FN3O3/c21-16-10-14-17(11-18(16)23-8-6-22-7-9-23)24(13-4-2-1-3-5-13)12-15(19(14)25)20(26)27/h1-5,10-12,22H,6-9H2,(H,26,27)
InChIKey
LNDZQOCPDSKPRL-UHFFFAOYSA-N
Compound name
6-fluoro-4-oxo-1-phenyl-7-piperazin-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

367.1332 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14048 187.4
[M+Na]+ 390.12242 194.4
[M-H]- 366.12592 189.7
[M+NH4]+ 385.16702 194.4
[M+K]+ 406.09636 186.7
[M+H-H2O]+ 350.13046 175.1
[M+HCOO]- 412.13140 197.8
[M+CH3COO]- 426.14705 194.6
[M+Na-2H]- 388.10787 188.5
[M]+ 367.13265 181.3
[M]- 367.13375 181.3
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.