CID 3061470

Brn 5617195

Structural Information

Molecular Formula
C16H19FN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCC(C3)NC)F)C(=O)O
InChI
InChI=1S/C16H19FN4O3/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/h6,8-9,18H,3-5,7H2,1-2H3,(H,23,24)
InChIKey
SDUXFWBQJKQSLT-UHFFFAOYSA-N
Compound name
1-ethyl-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

8
Patents

334.1441 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15138 177.4
[M+Na]+ 357.13332 186.4
[M-H]- 333.13682 179.3
[M+NH4]+ 352.17792 189.4
[M+K]+ 373.10726 181.2
[M+H-H2O]+ 317.14136 167.7
[M+HCOO]- 379.14230 193.1
[M+CH3COO]- 393.15795 212.6
[M+Na-2H]- 355.11877 176.9
[M]+ 334.14355 176.6
[M]- 334.14465 176.6
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