CID 45792291

1-benzyl-3-methyl-1h-pyrazolo[3,4-b]pyridin-5-amine

Structural Information

Molecular Formula
C14H14N4
SMILES
CC1=NN(C2=C1C=C(C=N2)N)CC3=CC=CC=C3
InChI
InChI=1S/C14H14N4/c1-10-13-7-12(15)8-16-14(13)18(17-10)9-11-5-3-2-4-6-11/h2-8H,9,15H2,1H3
InChIKey
FTWIGHVVRPSPRQ-UHFFFAOYSA-N
Compound name
1-benzyl-3-methylpyrazolo[3,4-b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12184 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12912 153.2
[M+Na]+ 261.11106 169.0
[M+NH4]+ 256.15566 161.7
[M+K]+ 277.08500 162.8
[M-H]- 237.11456 157.5
[M+Na-2H]- 259.09651 162.5
[M]+ 238.12129 156.7
[M]- 238.12239 156.7
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

No patent data available for this compound.