CID 391134

Nsc689860

Structural Information

Molecular Formula
C10H14N4OS
SMILES
CSC1=NC=NC2=C1C=NN2CCCCO
InChI
InChI=1S/C10H14N4OS/c1-16-10-8-6-13-14(4-2-3-5-15)9(8)11-7-12-10/h6-7,15H,2-5H2,1H3
InChIKey
WDMIETVUTVLRBV-UHFFFAOYSA-N
Compound name
4-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08884 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09612 150.9
[M+Na]+ 261.07806 162.5
[M-H]- 237.08156 149.7
[M+NH4]+ 256.12266 166.8
[M+K]+ 277.05200 157.8
[M+H-H2O]+ 221.08610 143.4
[M+HCOO]- 283.08704 165.8
[M+CH3COO]- 297.10269 162.8
[M+Na-2H]- 259.06351 154.7
[M]+ 238.08829 156.9
[M]- 238.08939 156.9
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.