CID 57495160

6-methoxy-2-((3-(trifluoromethyl)pyridin-2-yl)amino)pyrimidin-4-ol

Structural Information

Molecular Formula
C11H9F3N4O2
SMILES
COC1=CC(=O)NC(=N1)NC2=C(C=CC=N2)C(F)(F)F
InChI
InChI=1S/C11H9F3N4O2/c1-20-8-5-7(19)16-10(17-8)18-9-6(11(12,13)14)3-2-4-15-9/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKey
NTPGJDKROIVMPJ-UHFFFAOYSA-N
Compound name
4-methoxy-2-[[3-(trifluoromethyl)pyridin-2-yl]amino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

286.06775 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07503 160.3
[M+Na]+ 309.05697 170.5
[M-H]- 285.06047 158.7
[M+NH4]+ 304.10157 171.0
[M+K]+ 325.03091 165.0
[M+H-H2O]+ 269.06501 148.6
[M+HCOO]- 331.06595 176.8
[M+CH3COO]- 345.08160 198.4
[M+Na-2H]- 307.04242 166.7
[M]+ 286.06720 156.6
[M]- 286.06830 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.