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 158.4
[M+Na]+ 293.06789 169.2
[M-H]- 269.07139 158.9
[M+NH4]+ 288.11249 173.7
[M+K]+ 309.04183 164.9
[M+H-H2O]+ 253.07593 151.6
[M+HCOO]- 315.07687 174.7
[M+CH3COO]- 329.09252 193.2
[M+Na-2H]- 291.05334 164.2
[M]+ 270.07812 164.0
[M]- 270.07922 164.0
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.