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]+ 243.085206 149.9
[M+Na]+ 265.067148 163.0
[M-H]- 241.070654 149.8
[M+NH4]+ 260.111753 160.9
[M+K]+ 281.041088 155.2
[M+H-H2O]+ 225.075190 140.0
[M+HCOO]- 287.076131 166.9
[M+CH3COO]- 301.091781 160.9
[M+Na-2H]- 263.052596 154.9
[M]+ 242.07738142 147.6
[M]- 242.07847858 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