CID 488344

Chembl146758

Structural Information

Molecular Formula
C19H23FN4O3
SMILES
CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC4CC3CN4)C(C)(C)C)C(=O)O
InChI
InChI=1S/C19H23FN4O3/c1-9-13-15(25)12(18(26)27)8-24(19(2,3)4)16(13)22-17(14(9)20)23-7-10-5-11(23)6-21-10/h8,10-11,21H,5-7H2,1-4H3,(H,26,27)
InChIKey
XBGYOIHVGZOFNM-UHFFFAOYSA-N
Compound name
1-tert-butyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 194.1
[M+Na]+ 397.16462 203.6
[M-H]- 373.16812 193.5
[M+NH4]+ 392.20922 206.4
[M+K]+ 413.13856 197.6
[M+H-H2O]+ 357.17266 186.5
[M+HCOO]- 419.17360 202.0
[M+CH3COO]- 433.18925 217.4
[M+Na-2H]- 395.15007 191.1
[M]+ 374.17485 193.8
[M]- 374.17595 193.8
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

No patent data available for this compound.