CID 54692268

Schembl4488507

Structural Information

Molecular Formula
C16H13FN2O5
SMILES
C1CN(C(=O)C2=C(C(=O)NC(=C21)C(=O)O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C16H13FN2O5/c17-9-3-1-8(2-4-9)7-19-6-5-10-11(15(19)22)13(20)14(21)18-12(10)16(23)24/h1-4,20H,5-7H2,(H,18,21)(H,23,24)
InChIKey
BDNCXIVWTVEQKA-UHFFFAOYSA-N
Compound name
6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

332.08084 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08812 173.1
[M+Na]+ 355.07006 182.2
[M-H]- 331.07356 173.5
[M+NH4]+ 350.11466 183.2
[M+K]+ 371.04400 176.3
[M+H-H2O]+ 315.07810 163.8
[M+HCOO]- 377.07904 185.7
[M+CH3COO]- 391.09469 204.5
[M+Na-2H]- 353.05551 174.2
[M]+ 332.08029 170.2
[M]- 332.08139 170.2
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