CID 467609

4-[4-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol

Structural Information

Molecular Formula
C12H16N8O
SMILES
C1=C(N=NN1CCCCO)CN2C3=NC=NC(=C3C=N2)N
InChI
InChI=1S/C12H16N8O/c13-11-10-5-16-20(12(10)15-8-14-11)7-9-6-19(18-17-9)3-1-2-4-21/h5-6,8,21H,1-4,7H2,(H2,13,14,15)
InChIKey
IREJUEGLHQIIGS-UHFFFAOYSA-N
Compound name
4-[4-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.1447 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15198 165.5
[M+Na]+ 311.13392 176.4
[M-H]- 287.13742 164.2
[M+NH4]+ 306.17852 175.3
[M+K]+ 327.10786 170.7
[M+H-H2O]+ 271.14196 154.6
[M+HCOO]- 333.14290 182.9
[M+CH3COO]- 347.15855 175.3
[M+Na-2H]- 309.11937 169.4
[M]+ 288.14415 168.4
[M]- 288.14525 168.4
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.