CID 25263414

Dsm74

Structural Information

Molecular Formula
C13H10F3N5
SMILES
CC1=NC2=NC=NN2C(=C1)NC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3
InChIKey
LRHHXKBKRNNFRV-UHFFFAOYSA-N
Compound name
5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

12
Patents

293.08884 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09612 163.5
[M+Na]+ 316.07806 175.5
[M-H]- 292.08156 163.3
[M+NH4]+ 311.12266 176.3
[M+K]+ 332.05200 168.9
[M+H-H2O]+ 276.08610 151.2
[M+HCOO]- 338.08704 180.9
[M+CH3COO]- 352.10269 174.3
[M+Na-2H]- 314.06351 170.6
[M]+ 293.08829 162.0
[M]- 293.08939 162.0
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.