CID 3007214

122949-66-0

Structural Information

Molecular Formula
C9H12N6O2S
SMILES
C1=NC(=C2C(=NN(C2=N1)COCCO)C(=S)N)N
InChI
InChI=1S/C9H12N6O2S/c10-7-5-6(8(11)18)14-15(4-17-2-1-16)9(5)13-3-12-7/h3,16H,1-2,4H2,(H2,11,18)(H2,10,12,13)
InChIKey
PNMURGPVEPYPIO-UHFFFAOYSA-N
Compound name
4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.07425 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08153 155.8
[M+Na]+ 291.06347 166.4
[M-H]- 267.06697 154.4
[M+NH4]+ 286.10807 169.2
[M+K]+ 307.03741 161.5
[M+H-H2O]+ 251.07151 148.3
[M+HCOO]- 313.07245 171.1
[M+CH3COO]- 327.08810 197.6
[M+Na-2H]- 289.04892 158.4
[M]+ 268.07370 158.6
[M]- 268.07480 158.6
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.