CID 491307

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

Structural Information

Molecular Formula
C13H17N7O4
SMILES
COC1=NC=NC2=C1C=NN2CC3=CN(N=N3)COC[C@H](CO)O
InChI
InChI=1S/C13H17N7O4/c1-23-13-11-2-16-20(12(11)14-7-15-13)4-9-3-19(18-17-9)8-24-6-10(22)5-21/h2-3,7,10,21-22H,4-6,8H2,1H3/t10-/m0/s1
InChIKey
YSZQZNUFKPMQRS-JTQLQIEISA-N
Compound name
(2S)-3-[[4-[(4-methoxypyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.13422 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14150 173.6
[M+Na]+ 358.12344 183.3
[M-H]- 334.12694 171.5
[M+NH4]+ 353.16804 181.0
[M+K]+ 374.09738 179.4
[M+H-H2O]+ 318.13148 163.1
[M+HCOO]- 380.13242 188.3
[M+CH3COO]- 394.14807 182.5
[M+Na-2H]- 356.10889 176.1
[M]+ 335.13367 179.9
[M]- 335.13477 179.9
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.