CID 3054822

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

Structural Information

Molecular Formula
C13H12ClN3O2S
SMILES
CC1=CN=C(N1CC#C)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClN3O2S/c1-3-8-17-10(2)9-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h1,4-7,9H,8H2,2H3,(H,15,16)
InChIKey
DSUYSERXUIUBIL-UHFFFAOYSA-N
Compound name
4-chloro-N-(5-methyl-1-prop-2-ynylimidazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.03387 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.04115 163.8
[M+Na]+ 332.02309 176.0
[M+NH4]+ 327.06769 167.2
[M+K]+ 347.99703 166.8
[M-H]- 308.02659 157.6
[M+Na-2H]- 330.00854 167.0
[M]+ 309.03332 163.6
[M]- 309.03442 163.6
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.