CID 491310

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

Structural Information

Molecular Formula
C11H16N4O3S
SMILES
CCSC1=NC=NC2=C1C=NN2COC[C@H](CO)O
InChI
InChI=1S/C11H16N4O3S/c1-2-19-11-9-3-14-15(10(9)12-6-13-11)7-18-5-8(17)4-16/h3,6,8,16-17H,2,4-5,7H2,1H3/t8-/m0/s1
InChIKey
NQDYPFFIHOPWNF-QMMMGPOBSA-N
Compound name
(2S)-3-[(4-ethylsulfanylpyrazolo[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

284.0943 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10158 161.3
[M+Na]+ 307.08352 171.0
[M-H]- 283.08702 158.7
[M+NH4]+ 302.12812 174.3
[M+K]+ 323.05746 166.9
[M+H-H2O]+ 267.09156 153.8
[M+HCOO]- 329.09250 173.8
[M+CH3COO]- 343.10815 193.5
[M+Na-2H]- 305.06897 163.6
[M]+ 284.09375 168.0
[M]- 284.09485 168.0
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.