CID 154700102

Ns00117811

Structural Information

Molecular Formula
C10H14N4O3S
SMILES
CCCCC1=NC2=CC=NN2C(=C1)NS(=O)(=O)O
InChI
InChI=1S/C10H14N4O3S/c1-2-3-4-8-7-10(13-18(15,16)17)14-9(12-8)5-6-11-14/h5-7,13H,2-4H2,1H3,(H,15,16,17)
InChIKey
YCEGAALFECPYAS-UHFFFAOYSA-N
Compound name
(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.07867 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08595 158.8
[M+Na]+ 293.06789 169.3
[M+NH4]+ 288.11249 164.2
[M+K]+ 309.04183 164.9
[M-H]- 269.07139 157.4
[M+Na-2H]- 291.05334 162.4
[M]+ 270.07812 160.0
[M]- 270.07922 160.0
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.