CID 3069216

84424-13-5

Structural Information

Molecular Formula
C16H17FN4O3
SMILES
CNC1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C=C)C(=O)O)F
InChI
InChI=1S/C16H17FN4O3/c1-3-20-8-11(16(23)24)13(22)10-6-12(17)15(19-14(10)20)21-5-4-9(7-21)18-2/h3,6,8-9,18H,1,4-5,7H2,2H3,(H,23,24)
InChIKey
PBCNONRKMYNEPD-UHFFFAOYSA-N
Compound name
1-ethenyl-6-fluoro-7-[3-(methylamino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

332.12848 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13576 176.5
[M+Na]+ 355.11770 185.7
[M-H]- 331.12120 178.3
[M+NH4]+ 350.16230 188.4
[M+K]+ 371.09164 179.9
[M+H-H2O]+ 315.12574 166.8
[M+HCOO]- 377.12668 192.3
[M+CH3COO]- 391.14233 211.9
[M+Na-2H]- 353.10315 176.0
[M]+ 332.12793 174.9
[M]- 332.12903 174.9
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

patents stripe