CID 67517602

1-(piperidin-3-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C10H14N6
SMILES
C1CC(CNC1)N2C3=NC=NC(=C3C=N2)N
InChI
InChI=1S/C10H14N6/c11-9-8-5-15-16(10(8)14-6-13-9)7-2-1-3-12-4-7/h5-7,12H,1-4H2,(H2,11,13,14)
InChIKey
HLOWGQUGVMJJBH-UHFFFAOYSA-N
Compound name
1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

218.12799 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.135266 149.0
[M+Na]+ 241.117208 157.5
[M-H]- 217.120714 148.3
[M+NH4]+ 236.161813 162.1
[M+K]+ 257.091148 151.9
[M+H-H2O]+ 201.125250 138.7
[M+HCOO]- 263.126191 164.6
[M+CH3COO]- 277.141841 159.1
[M+Na-2H]- 239.102656 154.9
[M]+ 218.12744142 143.5
[M]- 218.12853858 143.5
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