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)-2-pyridinyl]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]+ 287.075026 160.3
[M+Na]+ 309.056968 170.5
[M-H]- 285.060474 158.7
[M+NH4]+ 304.101573 171.0
[M+K]+ 325.030908 165.0
[M+H-H2O]+ 269.065010 148.6
[M+HCOO]- 331.065951 176.8
[M+CH3COO]- 345.081601 198.4
[M+Na-2H]- 307.042416 166.7
[M]+ 286.06720142 156.6
[M]- 286.06829858 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.