CID 138755794

178403-36-6

Structural Information

Molecular Formula
C12H11F3N4O2
SMILES
COC1=CC(=NC(=N1)NC2=C(C=CC=N2)C(F)(F)F)OC
InChI
InChI=1S/C12H11F3N4O2/c1-20-8-6-9(21-2)18-11(17-8)19-10-7(12(13,14)15)4-3-5-16-10/h3-6H,1-2H3,(H,16,17,18,19)
InChIKey
FOHUVEQSVOMUOO-UHFFFAOYSA-N
Compound name
4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

300.0834 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.090676 165.2
[M+Na]+ 323.072618 175.1
[M-H]- 299.076124 164.7
[M+NH4]+ 318.117223 176.1
[M+K]+ 339.046558 170.9
[M+H-H2O]+ 283.080660 152.9
[M+HCOO]- 345.081601 182.7
[M+CH3COO]- 359.097251 204.5
[M+Na-2H]- 321.058066 171.6
[M]+ 300.08285142 164.4
[M]- 300.08394858 164.4
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.