CID 488308

Chembl1183109

Structural Information

Molecular Formula
C19H23FN4O3
SMILES
CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3C4CCC3CNC4)F)C(=O)O
InChI
InChI=1S/C19H23FN4O3/c1-19(2,3)23-9-13(18(26)27)15(25)12-6-14(20)17(22-16(12)23)24-10-4-5-11(24)8-21-7-10/h6,9-11,21H,4-5,7-8H2,1-3H3,(H,26,27)
InChIKey
DRMITVMYLNOSHI-UHFFFAOYSA-N
Compound name
1-tert-butyl-7-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

374.1754 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18268 194.0
[M+Na]+ 397.16462 201.9
[M-H]- 373.16812 192.1
[M+NH4]+ 392.20922 203.9
[M+K]+ 413.13856 195.4
[M+H-H2O]+ 357.17266 184.7
[M+HCOO]- 419.17360 199.4
[M+CH3COO]- 433.18925 216.7
[M+Na-2H]- 395.15007 193.5
[M]+ 374.17485 190.8
[M]- 374.17595 190.8
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.