CID 16227688

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid

Structural Information

Molecular Formula
C10H9F3N4O2
SMILES
CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)O
InChI
InChI=1S/C10H9F3N4O2/c1-4-6(3-7(18)19)5(2)17-9(14-4)15-8(16-17)10(11,12)13/h3H2,1-2H3,(H,18,19)
InChIKey
YMGVPUQKMKKFEL-UHFFFAOYSA-N
Compound name
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.06775 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07503 157.5
[M+Na]+ 297.05697 170.5
[M-H]- 273.06047 153.3
[M+NH4]+ 292.10157 171.3
[M+K]+ 313.03091 166.0
[M+H-H2O]+ 257.06501 147.7
[M+HCOO]- 319.06595 171.6
[M+CH3COO]- 333.08160 196.7
[M+Na-2H]- 295.04242 161.0
[M]+ 274.06720 158.1
[M]- 274.06830 158.1
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.