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[5,4-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.096116	150.9
[M+Na]+	261.078058	162.5
[M-H]-	237.081564	149.7
[M+NH4]+	256.122663	166.8
[M+K]+	277.051998	157.8
[M+H-H2O]+	221.086100	143.4
[M+HCOO]-	283.087041	165.8
[M+CH3COO]-	297.102691	162.8
[M+Na-2H]-	259.063506	154.7
[M]+	238.08829142	156.9
[M]-	238.08938858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.