CID 154699770

Ns00117505

Structural Information

Molecular Formula
C10H14N4O4S
SMILES
CCCCC1=NC2=C(C=NN2C(=C1)N)OS(=O)(=O)O
InChI
InChI=1S/C10H14N4O4S/c1-2-3-4-7-5-9(11)14-10(13-7)8(6-12-14)18-19(15,16)17/h5-6H,2-4,11H2,1H3,(H,15,16,17)
InChIKey
LQIGRWPKNKBXFP-UHFFFAOYSA-N
Compound name
(7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.07358 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08086 161.8
[M+Na]+ 309.06280 173.1
[M-H]- 285.06630 162.1
[M+NH4]+ 304.10740 176.3
[M+K]+ 325.03674 169.0
[M+H-H2O]+ 269.07084 155.2
[M+HCOO]- 331.07178 177.5
[M+CH3COO]- 345.08743 196.1
[M+Na-2H]- 307.04825 166.2
[M]+ 286.07303 168.2
[M]- 286.07413 168.2
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.