CID 3040486

1h-pyrazolo(3,4-b)pyridin-3,6-diamine, 4-phenyl-

Structural Information

Molecular Formula
C12H11N5
SMILES
C1=CC=C(C=C1)C2=CC(=NC3=NNC(=C23)N)N
InChI
InChI=1S/C12H11N5/c13-9-6-8(7-4-2-1-3-5-7)10-11(14)16-17-12(10)15-9/h1-6H,(H5,13,14,15,16,17)
InChIKey
ZBDCERWOULPXBC-UHFFFAOYSA-N
Compound name
4-phenyl-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

225.10144 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10872 147.8
[M+Na]+ 248.09066 161.7
[M+NH4]+ 243.13526 155.5
[M+K]+ 264.06460 157.1
[M-H]- 224.09416 151.6
[M+Na-2H]- 246.07611 156.2
[M]+ 225.10089 150.7
[M]- 225.10199 150.7
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

patents stripe