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

literature stripe

Patent stripe

patents stripe