CID 516155

122949-67-1

Structural Information

Molecular Formula
C9H12N6O3
SMILES
C1=NC(=C2C(=NN(C2=N1)COCCO)C(=O)N)N
InChI
InChI=1S/C9H12N6O3/c10-7-5-6(8(11)17)14-15(4-18-2-1-16)9(5)13-3-12-7/h3,16H,1-2,4H2,(H2,11,17)(H2,10,12,13)
InChIKey
NMZGBZABPKSEDU-UHFFFAOYSA-N
Compound name
4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.09709 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10437 152.8
[M+Na]+ 275.08631 162.7
[M-H]- 251.08981 151.3
[M+NH4]+ 270.13091 165.9
[M+K]+ 291.06025 159.4
[M+H-H2O]+ 235.09435 144.1
[M+HCOO]- 297.09529 173.3
[M+CH3COO]- 311.11094 196.2
[M+Na-2H]- 273.07176 158.0
[M]+ 252.09654 154.6
[M]- 252.09764 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.