CID 15958278

Chembl378029

Structural Information

Molecular Formula
C20H18FN5O4
SMILES
CNC(=O)C(=O)N(C)C1=NC(=C(C2=C1C=CC=N2)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C20H18FN5O4/c1-22-19(29)20(30)26(2)17-13-4-3-9-23-14(13)16(27)15(25-17)18(28)24-10-11-5-7-12(21)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,29)(H,24,28)
InChIKey
MUFNUVZUWISNGN-UHFFFAOYSA-N
Compound name
N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.13428 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14156 194.8
[M+Na]+ 434.12350 200.3
[M-H]- 410.12700 198.8
[M+NH4]+ 429.16810 202.2
[M+K]+ 450.09744 197.2
[M+H-H2O]+ 394.13154 183.4
[M+HCOO]- 456.13248 213.4
[M+CH3COO]- 470.14813 233.3
[M+Na-2H]- 432.10895 197.2
[M]+ 411.13373 195.0
[M]- 411.13483 195.0
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.