CID 488386

Chembl26903

Structural Information

Molecular Formula
C19H23FN4O3
SMILES
CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CC4CCC3CN4)F)C(=O)O
InChI
InChI=1S/C19H23FN4O3/c1-19(2,3)24-9-13(18(26)27)15(25)12-6-14(20)17(22-16(12)24)23-8-10-4-5-11(23)7-21-10/h6,9-11,21H,4-5,7-8H2,1-3H3,(H,26,27)
InChIKey
HDNJXFOLHCGNSR-UHFFFAOYSA-N
Compound name
1-tert-butyl-7-(2,5-diazabicyclo[2.2.2]octan-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

374.1754 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18268 194.9
[M+Na]+ 397.16462 200.1
[M-H]- 373.16812 186.7
[M+NH4]+ 392.20922 205.5
[M+K]+ 413.13856 194.6
[M+H-H2O]+ 357.17266 185.1
[M+HCOO]- 419.17360 193.0
[M+CH3COO]- 433.18925 199.3
[M+Na-2H]- 395.15007 201.0
[M]+ 374.17485 194.5
[M]- 374.17595 194.5
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.