CID 3069215

84424-09-9

Structural Information

Molecular Formula
C15H15FN4O3
SMILES
C=CN1C=C(C(=O)C2=CC(=C(N=C21)N3CCC(C3)N)F)C(=O)O
InChI
InChI=1S/C15H15FN4O3/c1-2-19-7-10(15(22)23)12(21)9-5-11(16)14(18-13(9)19)20-4-3-8(17)6-20/h2,5,7-8H,1,3-4,6,17H2,(H,22,23)
InChIKey
WYLIRDAEYNYJBU-UHFFFAOYSA-N
Compound name
7-(3-aminopyrrolidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

318.11282 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12010 172.7
[M+Na]+ 341.10204 182.5
[M-H]- 317.10554 174.3
[M+NH4]+ 336.14664 184.9
[M+K]+ 357.07598 176.5
[M+H-H2O]+ 301.11008 163.3
[M+HCOO]- 363.11102 188.2
[M+CH3COO]- 377.12667 208.5
[M+Na-2H]- 339.08749 171.6
[M]+ 318.11227 169.8
[M]- 318.11337 169.8
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