CID 135646669

1018150-76-9

Structural Information

Molecular Formula
C10H9F2N3O3
SMILES
CC1=NN(C2=C1C(=CC(=O)N2)C(F)F)CC(=O)O
InChI
InChI=1S/C10H9F2N3O3/c1-4-8-5(9(11)12)2-6(16)13-10(8)15(14-4)3-7(17)18/h2,9H,3H2,1H3,(H,13,16)(H,17,18)
InChIKey
WULKBPXKWCRBCZ-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethyl)-3-methyl-6-oxo-7H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0612 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06848 153.9
[M+Na]+ 280.05042 163.6
[M+NH4]+ 275.09502 157.3
[M+K]+ 296.02436 162.3
[M-H]- 256.05392 148.8
[M+Na-2H]- 278.03587 155.2
[M]+ 257.06065 153.2
[M]- 257.06175 153.2
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.