CID 64085075

N-(but-3-yn-1-yl)-1-methyl-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula
C8H11N3O2S
SMILES
CN1C=C(C=N1)S(=O)(=O)NCCC#C
InChI
InChI=1S/C8H11N3O2S/c1-3-4-5-10-14(12,13)8-6-9-11(2)7-8/h1,6-7,10H,4-5H2,2H3
InChIKey
RLZDWCRWVLXVHY-UHFFFAOYSA-N
Compound name
N-but-3-ynyl-1-methylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0572 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.064476 150.6
[M+Na]+ 236.046418 161.2
[M-H]- 212.049924 150.8
[M+NH4]+ 231.091023 166.6
[M+K]+ 252.020358 158.6
[M+H-H2O]+ 196.054460 137.4
[M+HCOO]- 258.055401 162.9
[M+CH3COO]- 272.071051 192.4
[M+Na-2H]- 234.031866 152.5
[M]+ 213.05665142 147.9
[M]- 213.05774858 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.