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

10
Patents

218.12799 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13527 149.0
[M+Na]+ 241.11721 157.5
[M-H]- 217.12071 148.3
[M+NH4]+ 236.16181 162.1
[M+K]+ 257.09115 151.9
[M+H-H2O]+ 201.12525 138.7
[M+HCOO]- 263.12619 164.6
[M+CH3COO]- 277.14184 159.1
[M+Na-2H]- 239.10266 154.9
[M]+ 218.12744 143.5
[M]- 218.12854 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