CID 54707915

2,6-naphthyridine-1,7-dione, 2-[(2-chloro-6-fluorophenyl)methyl]-2,3,4,6-tetrahydro-8-hydroxy-6-methyl-

Structural Information

Molecular Formula
C16H14ClFN2O3
SMILES
CN1C=C2CCN(C(=O)C2=C(C1=O)O)CC3=C(C=CC=C3Cl)F
InChI
InChI=1S/C16H14ClFN2O3/c1-19-7-9-5-6-20(15(22)13(9)14(21)16(19)23)8-10-11(17)3-2-4-12(10)18/h2-4,7,21H,5-6,8H2,1H3
InChIKey
FYRIGYRIXJBXHN-UHFFFAOYSA-N
Compound name
2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.0677 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07498 173.9
[M+Na]+ 359.05692 186.0
[M-H]- 335.06042 177.0
[M+NH4]+ 354.10152 186.9
[M+K]+ 375.03086 178.9
[M+H-H2O]+ 319.06496 164.9
[M+HCOO]- 381.06590 185.4
[M+CH3COO]- 395.08155 208.9
[M+Na-2H]- 357.04237 175.4
[M]+ 336.06715 175.5
[M]- 336.06825 175.5
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