CID 465576

Pd120261

Structural Information

Molecular Formula
C15H11FN4O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)N4C=CN=C4)F)C(=O)O
InChI
InChI=1S/C15H11FN4O3/c16-11-5-9-12(21)10(15(22)23)6-20(8-1-2-8)13(9)18-14(11)19-4-3-17-7-19/h3-8H,1-2H2,(H,22,23)
InChIKey
VIOPQLLWKHIKIR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-imidazol-1-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

314.0815 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08878 178.0
[M+Na]+ 337.07072 192.0
[M-H]- 313.07422 182.8
[M+NH4]+ 332.11532 184.8
[M+K]+ 353.04466 183.6
[M+H-H2O]+ 297.07876 167.9
[M+HCOO]- 359.07970 196.2
[M+CH3COO]- 373.09535 188.4
[M+Na-2H]- 335.05617 179.9
[M]+ 314.08095 182.3
[M]- 314.08205 182.3
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