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

literature stripe

Patent stripe

patents stripe