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 176.3
[M+Na]+ 332.02309 188.8
[M-H]- 308.02659 179.2
[M+NH4]+ 327.06769 189.6
[M+K]+ 347.99703 181.9
[M+H-H2O]+ 292.03113 162.8
[M+HCOO]- 354.03207 184.1
[M+CH3COO]- 368.04772 207.2
[M+Na-2H]- 330.00854 176.0
[M]+ 309.03332 175.1
[M]- 309.03442 175.1
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.