CID 461885

1-ethyl-6-fluoro-1,4-dihydro-7-(7-methyl-2,7-diazaspiro[4.4]non-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C19H23FN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCC4(C3)CCN(C4)C)F)C(=O)O
InChI
InChI=1S/C19H23FN4O3/c1-3-23-9-13(18(26)27)15(25)12-8-14(20)17(21-16(12)23)24-7-5-19(11-24)4-6-22(2)10-19/h8-9H,3-7,10-11H2,1-2H3,(H,26,27)
InChIKey
DAUQIWGEPVCCFO-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-7-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

374.1754 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18268 189.2
[M+Na]+ 397.16462 198.4
[M-H]- 373.16812 192.0
[M+NH4]+ 392.20922 202.3
[M+K]+ 413.13856 192.5
[M+H-H2O]+ 357.17266 179.2
[M+HCOO]- 419.17360 200.7
[M+CH3COO]- 433.18925 197.9
[M+Na-2H]- 395.15007 185.2
[M]+ 374.17485 187.2
[M]- 374.17595 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.