CID 488351

Chembl146975

Structural Information

Molecular Formula
C18H19FN4O3
SMILES
CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC4CC3CN4)C5CC5)C(=O)O
InChI
InChI=1S/C18H19FN4O3/c1-8-13-15(24)12(18(25)26)7-23(10-2-3-10)16(13)21-17(14(8)19)22-6-9-4-11(22)5-20-9/h7,9-11,20H,2-6H2,1H3,(H,25,26)
InChIKey
AXKQBCNRLIDXKR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-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

2
References

0
Patents

358.1441 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15138 190.4
[M+Na]+ 381.13332 201.8
[M-H]- 357.13682 192.8
[M+NH4]+ 376.17792 198.2
[M+K]+ 397.10726 192.3
[M+H-H2O]+ 341.14136 182.3
[M+HCOO]- 403.14230 200.3
[M+CH3COO]- 417.15795 198.3
[M+Na-2H]- 379.11877 186.2
[M]+ 358.14355 191.2
[M]- 358.14465 191.2
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

No patent data available for this compound.