CID 3069217

84424-24-8

Structural Information

Molecular Formula
C15H16F2N4O3
SMILES
C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)CCF)C(=O)O)F
InChI
InChI=1S/C15H16F2N4O3/c16-2-4-21-7-10(15(23)24)12(22)9-5-11(17)14(19-13(9)21)20-3-1-8(18)6-20/h5,7-8H,1-4,6,18H2,(H,23,24)
InChIKey
OMDGGTYCELVKRG-UHFFFAOYSA-N
Compound name
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

338.11905 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12633 176.1
[M+Na]+ 361.10827 185.7
[M-H]- 337.11177 176.3
[M+NH4]+ 356.15287 187.6
[M+K]+ 377.08221 179.8
[M+H-H2O]+ 321.11631 165.7
[M+HCOO]- 383.11725 190.5
[M+CH3COO]- 397.13290 211.9
[M+Na-2H]- 359.09372 174.6
[M]+ 338.11850 173.0
[M]- 338.11960 173.0
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