CID 491313

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

Structural Information

Molecular Formula
C10H15N5O3
SMILES
CNC1=C2C=NN(C2=NC=N1)COC[C@H](CO)O
InChI
InChI=1S/C10H15N5O3/c1-11-9-8-2-14-15(10(8)13-5-12-9)6-18-4-7(17)3-16/h2,5,7,16-17H,3-4,6H2,1H3,(H,11,12,13)/t7-/m0/s1
InChIKey
ZOQCRVXKHYDEIH-ZETCQYMHSA-N
Compound name
(2S)-3-[[4-(methylamino)pyrazolo[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

253.1175 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12478 154.3
[M+Na]+ 276.10672 163.1
[M-H]- 252.11022 151.8
[M+NH4]+ 271.15132 167.4
[M+K]+ 292.08066 160.0
[M+H-H2O]+ 236.11476 145.6
[M+HCOO]- 298.11570 173.0
[M+CH3COO]- 312.13135 192.1
[M+Na-2H]- 274.09217 160.7
[M]+ 253.11695 157.6
[M]- 253.11805 157.6
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.