CID 3057928

Brn 6235291

Structural Information

Molecular Formula
C16H17FN4O3
SMILES
CN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=N2)C=C)C(=O)O)F
InChI
InChI=1S/C16H17FN4O3/c1-3-20-9-11(16(23)24)13(22)10-8-12(17)15(18-14(10)20)21-6-4-19(2)5-7-21/h3,8-9H,1,4-7H2,2H3,(H,23,24)
InChIKey
WEJKSRIKPYGXOW-UHFFFAOYSA-N
Compound name
1-ethenyl-6-fluoro-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

0
Patents

332.12848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13576 179.6
[M+Na]+ 355.11770 189.0
[M-H]- 331.12120 179.4
[M+NH4]+ 350.16230 188.4
[M+K]+ 371.09164 182.6
[M+H-H2O]+ 315.12574 168.5
[M+HCOO]- 377.12668 190.6
[M+CH3COO]- 391.14233 210.4
[M+Na-2H]- 353.10315 180.0
[M]+ 332.12793 176.9
[M]- 332.12903 176.9
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

No patent data available for this compound.