CID 3069001

Brn 6239700

Structural Information

Molecular Formula
C16H18F2N4O3
SMILES
CN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=N2)CCF)C(=O)O)F
InChI
InChI=1S/C16H18F2N4O3/c1-20-4-6-21(7-5-20)15-12(18)8-10-13(23)11(16(24)25)9-22(3-2-17)14(10)19-15/h8-9H,2-7H2,1H3,(H,24,25)
InChIKey
FQXWRYWIELRCDO-UHFFFAOYSA-N
Compound name
6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

352.1347 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14198 183.9
[M+Na]+ 375.12392 193.0
[M-H]- 351.12742 182.2
[M+NH4]+ 370.16852 191.8
[M+K]+ 391.09786 186.7
[M+H-H2O]+ 335.13196 171.6
[M+HCOO]- 397.13290 193.5
[M+CH3COO]- 411.14855 213.7
[M+Na-2H]- 373.10937 183.6
[M]+ 352.13415 180.7
[M]- 352.13525 180.7
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