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

6
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

literature stripe

Patent stripe

patents stripe