CID 465570

100490-19-5

Structural Information

Molecular Formula
C19H15F3N4O3
SMILES
C1CN(CCN1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F
InChI
InChI=1S/C19H15F3N4O3/c20-10-1-2-15(13(21)7-10)26-9-12(19(28)29)16(27)11-8-14(22)18(24-17(11)26)25-5-3-23-4-6-25/h1-2,7-9,23H,3-6H2,(H,28,29)
InChIKey
CVAQZAKLVQJAQT-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

33
Patents

404.10962 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11690 196.6
[M+Na]+ 427.09884 206.0
[M-H]- 403.10234 195.8
[M+NH4]+ 422.14344 201.1
[M+K]+ 443.07278 197.1
[M+H-H2O]+ 387.10688 182.2
[M+HCOO]- 449.10782 203.7
[M+CH3COO]- 463.12347 202.7
[M+Na-2H]- 425.08429 195.3
[M]+ 404.10907 189.5
[M]- 404.11017 189.5
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.