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 178.0
[M+Na]+ 364.08162 187.3
[M-H]- 340.08512 180.8
[M+NH4]+ 359.12622 184.4
[M+K]+ 380.05556 180.7
[M+H-H2O]+ 324.08966 165.4
[M+HCOO]- 386.09060 195.7
[M+CH3COO]- 400.10625 187.1
[M+Na-2H]- 362.06707 183.2
[M]+ 341.09185 177.1
[M]- 341.09295 177.1
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.