CID 54692273

Schembl4479990

Structural Information

Molecular Formula
C20H22FN3O4
SMILES
CCN(CC)C(=O)C1=C2CCN(C(=O)C2=C(C(=O)N1)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C20H22FN3O4/c1-3-23(4-2)20(28)16-14-9-10-24(11-12-5-7-13(21)8-6-12)19(27)15(14)17(25)18(26)22-16/h5-8,25H,3-4,9-11H2,1-2H3,(H,22,26)
InChIKey
JCHCCIVJELWICE-UHFFFAOYSA-N
Compound name
N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

387.15942 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16670 191.3
[M+Na]+ 410.14864 198.4
[M-H]- 386.15214 193.6
[M+NH4]+ 405.19324 200.2
[M+K]+ 426.12258 193.3
[M+H-H2O]+ 370.15668 180.7
[M+HCOO]- 432.15762 205.3
[M+CH3COO]- 446.17327 223.9
[M+Na-2H]- 408.13409 190.5
[M]+ 387.15887 190.4
[M]- 387.15997 190.4
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

No patent data available for this compound.