CID 54692262

Schembl4484069

Structural Information

Molecular Formula
C17H15FN2O5
SMILES
COC(=O)C1=C2CCN(C(=O)C2=C(C(=O)N1)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O5/c1-25-17(24)13-11-6-7-20(8-9-2-4-10(18)5-3-9)16(23)12(11)14(21)15(22)19-13/h2-5,21H,6-8H2,1H3,(H,19,22)
InChIKey
HERMEQTYOIGCTH-UHFFFAOYSA-N
Compound name
methyl 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

346.0965 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10378 177.4
[M+Na]+ 369.08572 186.5
[M-H]- 345.08922 179.0
[M+NH4]+ 364.13032 187.7
[M+K]+ 385.05966 181.3
[M+H-H2O]+ 329.09376 167.6
[M+HCOO]- 391.09470 191.1
[M+CH3COO]- 405.11035 208.9
[M+Na-2H]- 367.07117 178.4
[M]+ 346.09595 176.5
[M]- 346.09705 176.5
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

patents stripe