CID 482579

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

Structural Information

Molecular Formula
C10H13N5O3S
SMILES
C1=NN(C2=C1C(=NC=N2)SCC(=O)N)COCCO
InChI
InChI=1S/C10H13N5O3S/c11-8(17)4-19-10-7-3-14-15(6-18-2-1-16)9(7)12-5-13-10/h3,5,16H,1-2,4,6H2,(H2,11,17)
InChIKey
INZQIAQYLFAZBM-UHFFFAOYSA-N
Compound name
2-[1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.0739 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08118 159.1
[M+Na]+ 306.06312 169.0
[M-H]- 282.06662 157.6
[M+NH4]+ 301.10772 172.1
[M+K]+ 322.03706 164.9
[M+H-H2O]+ 266.07116 151.2
[M+HCOO]- 328.07210 173.9
[M+CH3COO]- 342.08775 196.7
[M+Na-2H]- 304.04857 162.2
[M]+ 283.07335 164.9
[M]- 283.07445 164.9
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.