CID 17024741

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

Structural Information

Molecular Formula
C10H9F3N4
SMILES
C1CC1C2=CC(=NC3=NNC(=C23)N)C(F)(F)F
InChI
InChI=1S/C10H9F3N4/c11-10(12,13)6-3-5(4-1-2-4)7-8(14)16-17-9(7)15-6/h3-4H,1-2H2,(H3,14,15,16,17)
InChIKey
WNNDGUOKKFRGPF-UHFFFAOYSA-N
Compound name
4-cyclopropyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.07793 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08521 149.9
[M+Na]+ 265.06715 163.0
[M-H]- 241.07065 149.8
[M+NH4]+ 260.11175 160.9
[M+K]+ 281.04109 155.2
[M+H-H2O]+ 225.07519 140.0
[M+HCOO]- 287.07613 166.9
[M+CH3COO]- 301.09178 160.9
[M+Na-2H]- 263.05260 154.9
[M]+ 242.07738 147.6
[M]- 242.07848 147.6
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

patents stripe