CID 50987779

1,6-dimethyl-4-(trifluoromethyl)-1h,2h,3h,4h,5h,6h,7h-pyrazolo[3,4-b]pyridin-3-one

Structural Information

Molecular Formula
C9H12F3N3O
SMILES
CC1CC(C2=C(N1)N(NC2=O)C)C(F)(F)F
InChI
InChI=1S/C9H12F3N3O/c1-4-3-5(9(10,11)12)6-7(13-4)15(2)14-8(6)16/h4-5,13H,3H2,1-2H3,(H,14,16)
InChIKey
SCVOZUXQZCTDAL-UHFFFAOYSA-N
Compound name
1,6-dimethyl-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09325 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10053 153.3
[M+Na]+ 258.08247 160.5
[M+NH4]+ 253.12707 157.1
[M+K]+ 274.05641 158.6
[M-H]- 234.08597 147.2
[M+Na-2H]- 256.06792 153.0
[M]+ 235.09270 152.0
[M]- 235.09380 152.0
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.