CID 54692269

Schembl4480533

Structural Information

Molecular Formula
C17H18FN3O5S
SMILES
CN(C1=C2CCN(C(=O)C2=C(C(=O)N1)O)CC3=CC=C(C=C3)F)S(=O)(=O)C
InChI
InChI=1S/C17H18FN3O5S/c1-20(27(2,25)26)15-12-7-8-21(9-10-3-5-11(18)6-4-10)17(24)13(12)14(22)16(23)19-15/h3-6,22H,7-9H2,1-2H3,(H,19,23)
InChIKey
JFETZOXRKPFEIL-UHFFFAOYSA-N
Compound name
N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

395.09512 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.10240 187.4
[M+Na]+ 418.08434 196.0
[M-H]- 394.08784 190.0
[M+NH4]+ 413.12894 196.4
[M+K]+ 434.05828 190.7
[M+H-H2O]+ 378.09238 178.3
[M+HCOO]- 440.09332 197.2
[M+CH3COO]- 454.10897 220.5
[M+Na-2H]- 416.06979 189.0
[M]+ 395.09457 188.8
[M]- 395.09567 188.8
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