CID 482580

2-[1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide

Structural Information

Molecular Formula
C11H15N5O3S
SMILES
CC(C(=O)N)SC1=NC=NC2=C1C=NN2COCCO
InChI
InChI=1S/C11H15N5O3S/c1-7(9(12)18)20-11-8-4-15-16(6-19-3-2-17)10(8)13-5-14-11/h4-5,7,17H,2-3,6H2,1H3,(H2,12,18)
InChIKey
XZKQHOIOWPBBDM-UHFFFAOYSA-N
Compound name
2-[1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.08957 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09685 163.9
[M+Na]+ 320.07879 173.1
[M-H]- 296.08229 162.4
[M+NH4]+ 315.12339 176.3
[M+K]+ 336.05273 169.3
[M+H-H2O]+ 280.08683 156.0
[M+HCOO]- 342.08777 177.4
[M+CH3COO]- 356.10342 200.5
[M+Na-2H]- 318.06424 165.6
[M]+ 297.08902 169.5
[M]- 297.09012 169.5
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

No patent data available for this compound.