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]+ 290.09578 173.6
[M+Na]+ 312.07772 185.0
[M-H]- 288.08122 176.3
[M+NH4]+ 307.12232 186.8
[M+K]+ 328.05166 179.5
[M+H-H2O]+ 272.08576 159.5
[M+HCOO]- 334.08670 185.3
[M+CH3COO]- 348.10235 206.6
[M+Na-2H]- 310.06317 173.4
[M]+ 289.08795 171.1
[M]- 289.08905 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.