CID 206306

49561-95-7

Structural Information

Molecular Formula
C13H13F3N4O
SMILES
CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C13H13F3N4O/c1-2-9-10(11(17)20-12(18)19-9)7-3-5-8(6-4-7)21-13(14,15)16/h3-6H,2H2,1H3,(H4,17,18,19,20)
InChIKey
MEJWUWIYHWPDMH-UHFFFAOYSA-N
Compound name
6-ethyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.10416 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11144 166.9
[M+Na]+ 321.09338 176.6
[M-H]- 297.09688 167.0
[M+NH4]+ 316.13798 178.8
[M+K]+ 337.06732 171.2
[M+H-H2O]+ 281.10142 155.5
[M+HCOO]- 343.10236 185.0
[M+CH3COO]- 357.11801 207.8
[M+Na-2H]- 319.07883 170.3
[M]+ 298.10361 162.3
[M]- 298.10471 162.3
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.