CID 491314

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

Structural Information

Molecular Formula
C11H17N5O3
SMILES
CN(C)C1=NC=NC2=C1C=NN2COC[C@H](CO)O
InChI
InChI=1S/C11H17N5O3/c1-15(2)10-9-3-14-16(11(9)13-6-12-10)7-19-5-8(18)4-17/h3,6,8,17-18H,4-5,7H2,1-2H3/t8-/m0/s1
InChIKey
PYCDIKJUTQZRHW-QMMMGPOBSA-N
Compound name
(2S)-3-[[4-(dimethylamino)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

267.13315 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 159.0
[M+Na]+ 290.12237 167.5
[M-H]- 266.12587 157.8
[M+NH4]+ 285.16697 172.1
[M+K]+ 306.09631 165.5
[M+H-H2O]+ 250.13041 150.1
[M+HCOO]- 312.13135 177.9
[M+CH3COO]- 326.14700 198.3
[M+Na-2H]- 288.10782 164.2
[M]+ 267.13260 163.9
[M]- 267.13370 163.9
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.