CID 461892

Schembl9672074

Structural Information

Molecular Formula
C17H17FN4O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)N4CCN5CC4C5)F)C(=O)O
InChI
InChI=1S/C17H17FN4O3/c18-13-5-11-14(23)12(17(24)25)8-22(9-1-2-9)15(11)19-16(13)21-4-3-20-6-10(21)7-20/h5,8-10H,1-4,6-7H2,(H,24,25)
InChIKey
DFKRCIVDAILEEP-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(1,4-diazabicyclo[3.1.1]heptan-4-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
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 197.1
[M+Na]+ 367.11770 205.2
[M-H]- 343.12120 195.1
[M+NH4]+ 362.16230 198.5
[M+K]+ 383.09164 200.8
[M+H-H2O]+ 327.12574 181.4
[M+HCOO]- 389.12668 200.7
[M+CH3COO]- 403.14233 202.2
[M+Na-2H]- 365.10315 200.4
[M]+ 344.12793 208.3
[M]- 344.12903 208.3
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.