CID 3054833

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

Structural Information

Molecular Formula
C13H14N4O2S
SMILES
CC1=CN=C(N1CC#C)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N4O2S/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,8,14H2,2H3,(H,15,16)
InChIKey
MOSPYMDOMGBZGS-UHFFFAOYSA-N
Compound name
4-amino-N-(5-methyl-1-prop-2-ynylimidazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08374 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09102 174.5
[M+Na]+ 313.07296 185.2
[M-H]- 289.07646 176.7
[M+NH4]+ 308.11756 187.0
[M+K]+ 329.04690 179.8
[M+H-H2O]+ 273.08100 160.2
[M+HCOO]- 335.08194 186.7
[M+CH3COO]- 349.09759 208.0
[M+Na-2H]- 311.05841 174.4
[M]+ 290.08319 170.0
[M]- 290.08429 170.0
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.