CID 491906

1-(4-amino-2-fluoro-phenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxamide

Structural Information

Molecular Formula
C20H19F2N5O2
SMILES
C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)N)C4=C(C=C(C=C4)N)F)F
InChI
InChI=1S/C20H19F2N5O2/c21-14-7-11(23)1-2-16(14)27-10-13(20(24)29)19(28)12-8-15(22)18(9-17(12)27)26-5-3-25-4-6-26/h1-2,7-10,25H,3-6,23H2,(H2,24,29)
InChIKey
FNOUOGAOFLZNKD-UHFFFAOYSA-N
Compound name
1-(4-amino-2-fluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1507 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15798 196.9
[M+Na]+ 422.13992 204.9
[M-H]- 398.14342 199.0
[M+NH4]+ 417.18452 202.9
[M+K]+ 438.11386 196.4
[M+H-H2O]+ 382.14796 183.8
[M+HCOO]- 444.14890 208.5
[M+CH3COO]- 458.16455 203.4
[M+Na-2H]- 420.12537 195.7
[M]+ 399.15015 188.2
[M]- 399.15125 188.2
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.