CID 3054821

Benzenesulfonamide, 4-methyl-n-(5-methyl-1-(2-propynyl)-1h-imidazol-2-yl)-

Structural Information

Molecular Formula
C14H15N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(N2CC#C)C
InChI
InChI=1S/C14H15N3O2S/c1-4-9-17-12(3)10-15-14(17)16-20(18,19)13-7-5-11(2)6-8-13/h1,5-8,10H,9H2,2-3H3,(H,15,16)
InChIKey
UQXRADNKPQNDIY-UHFFFAOYSA-N
Compound name
4-methyl-N-(5-methyl-1-prop-2-ynylimidazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.095776 173.6
[M+Na]+ 312.077718 185.0
[M-H]- 288.081224 176.3
[M+NH4]+ 307.122323 186.8
[M+K]+ 328.051658 179.5
[M+H-H2O]+ 272.085760 159.5
[M+HCOO]- 334.086701 185.3
[M+CH3COO]- 348.102351 206.6
[M+Na-2H]- 310.063166 173.4
[M]+ 289.08795142 171.1
[M]- 289.08904858 171.1
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.