CID 2423937

7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine

Structural Information

Molecular Formula
C7H6F3N5
SMILES
CC1=CC(=NC2=NC(=NN12)C(F)(F)F)N
InChI
InChI=1S/C7H6F3N5/c1-3-2-4(11)12-6-13-5(7(8,9)10)14-15(3)6/h2H,1H3,(H2,11,12,13,14)
InChIKey
JHLAEDYPMUOURZ-UHFFFAOYSA-N
Compound name
7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

217.05753 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06481 142.4
[M+Na]+ 240.04675 155.8
[M-H]- 216.05025 139.0
[M+NH4]+ 235.09135 158.7
[M+K]+ 256.02069 151.3
[M+H-H2O]+ 200.05479 132.2
[M+HCOO]- 262.05573 160.0
[M+CH3COO]- 276.07138 189.2
[M+Na-2H]- 238.03220 149.2
[M]+ 217.05698 140.3
[M]- 217.05808 140.3
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.