CID 56773898

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

Structural Information

Molecular Formula
C7H5F3N4
SMILES
C1=C(C2=C(NN=C2N=C1)N)C(F)(F)F
InChI
InChI=1S/C7H5F3N4/c8-7(9,10)3-1-2-12-6-4(3)5(11)13-14-6/h1-2H,(H3,11,12,13,14)
InChIKey
AZGJPIZWFCXWJA-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.