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

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]+	271.085946	158.4
[M+Na]+	293.067888	169.2
[M-H]-	269.071394	158.9
[M+NH4]+	288.112493	173.7
[M+K]+	309.041828	164.9
[M+H-H2O]+	253.075930	151.6
[M+HCOO]-	315.076871	174.7
[M+CH3COO]-	329.092521	193.2
[M+Na-2H]-	291.053336	164.2
[M]+	270.07812142	164.0
[M]-	270.07921858	164.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.