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)-2-pyridinyl]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]+ 243.085206 149.5
[M+Na]+ 265.067148 160.5
[M-H]- 241.070654 149.1
[M+NH4]+ 260.111753 164.7
[M+K]+ 281.041088 155.7
[M+H-H2O]+ 225.075190 138.7
[M+HCOO]- 287.076131 167.7
[M+CH3COO]- 301.091781 193.6
[M+Na-2H]- 263.052596 153.4
[M]+ 242.07738142 145.1
[M]- 242.07847858 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.