CID 11402500

256376-65-5

Structural Information

Molecular Formula
C14H9FN4
SMILES
C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C#N)F
InChI
InChI=1S/C14H9FN4/c15-12-6-2-1-4-10(12)9-19-14-11(5-3-7-17-14)13(8-16)18-19/h1-7H,9H2
InChIKey
CSUUGTRFBZTTQW-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

252.08113 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08841 153.9
[M+Na]+ 275.07035 167.0
[M-H]- 251.07385 154.7
[M+NH4]+ 270.11495 167.6
[M+K]+ 291.04429 159.1
[M+H-H2O]+ 235.07839 136.7
[M+HCOO]- 297.07933 171.1
[M+CH3COO]- 311.09498 164.4
[M+Na-2H]- 273.05580 159.3
[M]+ 252.08058 149.6
[M]- 252.08168 149.6
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

patents stripe