CID 16775350

3-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C10H9F3N4
SMILES
CC1=NN(C(=C1)N)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H9F3N4/c1-6-4-8(14)17(16-6)9-3-2-7(5-15-9)10(11,12)13/h2-5H,14H2,1H3
InChIKey
KSEPDTCKJCJYGY-UHFFFAOYSA-N
Compound name
5-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07793 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08521 149.5
[M+Na]+ 265.06715 160.5
[M-H]- 241.07065 149.1
[M+NH4]+ 260.11175 164.7
[M+K]+ 281.04109 155.7
[M+H-H2O]+ 225.07519 138.7
[M+HCOO]- 287.07613 167.7
[M+CH3COO]- 301.09178 193.6
[M+Na-2H]- 263.05260 153.4
[M]+ 242.07738 145.1
[M]- 242.07848 145.1
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.