CID 54594002

6-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridin-3-amine

Structural Information

Molecular Formula
C7H5F3N4
SMILES
C1=CC(=NC2=NNC(=C21)N)C(F)(F)F
InChI
InChI=1S/C7H5F3N4/c8-7(9,10)4-2-1-3-5(11)13-14-6(3)12-4/h1-2H,(H3,11,12,13,14)
InChIKey
OHVUCFMMMBIQOT-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

202.04663 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05391 136.5
[M+Na]+ 225.03585 148.6
[M-H]- 201.03935 132.8
[M+NH4]+ 220.08045 153.8
[M+K]+ 241.00979 143.6
[M+H-H2O]+ 185.04389 127.2
[M+HCOO]- 247.04483 154.1
[M+CH3COO]- 261.06048 182.5
[M+Na-2H]- 223.02130 143.9
[M]+ 202.04608 131.7
[M]- 202.04718 131.7
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

patents stripe