CID 2814463

N-benzyl-n,1-dimethyl-1h-imidazole-4-sulfonamide

Structural Information

Molecular Formula
C12H15N3O2S
SMILES
CN1C=C(N=C1)S(=O)(=O)N(C)CC2=CC=CC=C2
InChI
InChI=1S/C12H15N3O2S/c1-14-9-12(13-10-14)18(16,17)15(2)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKey
BWKPMBHQXBHBED-UHFFFAOYSA-N
Compound name
N-benzyl-N,1-dimethylimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

265.0885 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.095776 159.0
[M+Na]+ 288.077718 168.0
[M-H]- 264.081224 165.3
[M+NH4]+ 283.122323 175.7
[M+K]+ 304.051658 165.2
[M+H-H2O]+ 248.085760 151.1
[M+HCOO]- 310.086701 178.0
[M+CH3COO]- 324.102351 197.2
[M+Na-2H]- 286.063166 162.4
[M]+ 265.08795142 163.4
[M]- 265.08904858 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe