CID 488350

Chembl439637

Structural Information

Molecular Formula
C17H17FN4O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)N4CC5CC4CN5)F)C(=O)O
InChI
InChI=1S/C17H17FN4O3/c18-13-4-11-14(23)12(17(24)25)7-22(9-1-2-9)15(11)20-16(13)21-6-8-3-10(21)5-19-8/h4,7-10,19H,1-3,5-6H2,(H,24,25)
InChIKey
AKLKDHLCSQCLFE-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-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

344.12848 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13576 185.2
[M+Na]+ 367.11770 196.3
[M-H]- 343.12120 187.5
[M+NH4]+ 362.16230 193.4
[M+K]+ 383.09164 187.2
[M+H-H2O]+ 327.12574 177.0
[M+HCOO]- 389.12668 195.6
[M+CH3COO]- 403.14233 193.3
[M+Na-2H]- 365.10315 182.3
[M]+ 344.12793 185.4
[M]- 344.12903 185.4
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.