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

13
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

literature stripe

Patent stripe

patents stripe