CID 146675119

Auglurant metabolite m1

Structural Information

Molecular Formula
C16H12FN5O3
SMILES
CC1=CC(=CC(=N1)C(=O)NC2=NC=C(C=C2)F)OC3=CN=CNC3=O
InChI
InChI=1S/C16H12FN5O3/c1-9-4-11(25-13-7-18-8-20-16(13)24)5-12(21-9)15(23)22-14-3-2-10(17)6-19-14/h2-8H,1H3,(H,18,20,24)(H,19,22,23)
InChIKey
ORGWVAZZJZJVPV-UHFFFAOYSA-N
Compound name
N-(5-fluoropyridin-2-yl)-6-methyl-4-[(6-oxo-1H-pyrimidin-5-yl)oxy]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

341.0924 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.09968 176.8
[M+Na]+ 364.08162 191.0
[M+NH4]+ 359.12622 180.7
[M+K]+ 380.05556 185.4
[M-H]- 340.08512 178.5
[M+Na-2H]- 362.06707 185.5
[M]+ 341.09185 179.0
[M]- 341.09295 179.0
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.