CID 463743

164662-38-8

Structural Information

Molecular Formula
C20H17F2N3O3
SMILES
C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4F)F
InChI
InChI=1S/C20H17F2N3O3/c21-14-3-1-2-4-16(14)25-11-13(20(27)28)19(26)12-9-15(22)18(10-17(12)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)
InChIKey
ARZDSVFJNIANND-UHFFFAOYSA-N
Compound name
6-fluoro-1-(2-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

385.1238 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13108 191.5
[M+Na]+ 408.11302 199.5
[M-H]- 384.11652 192.8
[M+NH4]+ 403.15762 198.0
[M+K]+ 424.08696 191.4
[M+H-H2O]+ 368.12106 178.4
[M+HCOO]- 430.12200 200.8
[M+CH3COO]- 444.13765 198.4
[M+Na-2H]- 406.09847 191.2
[M]+ 385.12325 184.8
[M]- 385.12435 184.8
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.