CID 482581

2-[1-(4-hydroxybutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide

Structural Information

Molecular Formula
C11H15N5O2S
SMILES
C1=NN(C2=C1C(=NC=N2)SCC(=O)N)CCCCO
InChI
InChI=1S/C11H15N5O2S/c12-9(18)6-19-11-8-5-15-16(3-1-2-4-17)10(8)13-7-14-11/h5,7,17H,1-4,6H2,(H2,12,18)
InChIKey
YWHLKNBIDROKNQ-UHFFFAOYSA-N
Compound name
2-[1-(4-hydroxybutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.09464 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10192 160.9
[M+Na]+ 304.08386 170.7
[M-H]- 280.08736 159.2
[M+NH4]+ 299.12846 174.1
[M+K]+ 320.05780 165.7
[M+H-H2O]+ 264.09190 152.9
[M+HCOO]- 326.09284 175.2
[M+CH3COO]- 340.10849 197.5
[M+Na-2H]- 302.06931 163.3
[M]+ 281.09409 165.6
[M]- 281.09519 165.6
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.