CID 491316

(2s)-3-[(4-methoxypyrazolo[3,4-d]pyrimidin-1-yl)methoxy]propane-1,2-diol

Structural Information

Molecular Formula
C10H14N4O4
SMILES
COC1=NC=NC2=C1C=NN2COC[C@H](CO)O
InChI
InChI=1S/C10H14N4O4/c1-17-10-8-2-13-14(9(8)11-5-12-10)6-18-4-7(16)3-15/h2,5,7,15-16H,3-4,6H2,1H3/t7-/m0/s1
InChIKey
DVCSPZAJEIBFFD-ZETCQYMHSA-N
Compound name
(2S)-3-[(4-methoxypyrazolo[3,4-d]pyrimidin-1-yl)methoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.1015 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10878 154.0
[M+Na]+ 277.09072 163.5
[M-H]- 253.09422 151.3
[M+NH4]+ 272.13532 167.2
[M+K]+ 293.06466 160.9
[M+H-H2O]+ 237.09876 145.5
[M+HCOO]- 299.09970 171.7
[M+CH3COO]- 313.11535 189.1
[M+Na-2H]- 275.07617 159.7
[M]+ 254.10095 159.3
[M]- 254.10205 159.3
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.