CID 2764173

174713-63-4

Structural Information

Molecular Formula
C12H10N4
SMILES
C1=CC=C(C=C1)C2=CC=NC3=NNC(=C23)N
InChI
InChI=1S/C12H10N4/c13-11-10-9(8-4-2-1-3-5-8)6-7-14-12(10)16-15-11/h1-7H,(H3,13,14,15,16)
InChIKey
GFHKPJCWBZMRSN-UHFFFAOYSA-N
Compound name
4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

210.09055 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09783 143.7
[M+Na]+ 233.07977 154.4
[M-H]- 209.08327 146.7
[M+NH4]+ 228.12437 160.2
[M+K]+ 249.05371 148.2
[M+H-H2O]+ 193.08781 135.0
[M+HCOO]- 255.08875 165.8
[M+CH3COO]- 269.10440 156.4
[M+Na-2H]- 231.06522 152.0
[M]+ 210.09000 142.1
[M]- 210.09110 142.1
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