CID 56849009

5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridine-3-carboxamide

Structural Information

Molecular Formula
C14H10F2N4O
SMILES
C1=CC=C(C(=C1)CN2C3=C(C=C(C=N3)F)C(=N2)C(=O)N)F
InChI
InChI=1S/C14H10F2N4O/c15-9-5-10-12(13(17)21)19-20(14(10)18-6-9)7-8-3-1-2-4-11(8)16/h1-6H,7H2,(H2,17,21)
InChIKey
PFVRWSTVUQUXKP-UHFFFAOYSA-N
Compound name
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

288.08228 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08956 161.9
[M+Na]+ 311.07150 173.8
[M-H]- 287.07500 164.0
[M+NH4]+ 306.11610 176.1
[M+K]+ 327.04544 167.5
[M+H-H2O]+ 271.07954 151.0
[M+HCOO]- 333.08048 182.0
[M+CH3COO]- 347.09613 173.5
[M+Na-2H]- 309.05695 165.6
[M]+ 288.08173 161.6
[M]- 288.08283 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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