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

literature stripe

Patent stripe

patents stripe