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)pyridin-2-yl]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]+ 301.09068 165.2
[M+Na]+ 323.07262 175.1
[M-H]- 299.07612 164.7
[M+NH4]+ 318.11722 176.1
[M+K]+ 339.04656 170.9
[M+H-H2O]+ 283.08066 152.9
[M+HCOO]- 345.08160 182.7
[M+CH3COO]- 359.09725 204.5
[M+Na-2H]- 321.05807 171.6
[M]+ 300.08285 164.4
[M]- 300.08395 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.