CID 3054824

Methyl-5 propadienyl-1 p-toluenesulfonylamino imidazole [french]

Structural Information

Molecular Formula
C14H15N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(N2C=C=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/h5-10H,1H2,2-3H3,(H,15,16)
InChIKey
NZUWCXNQGLRCTC-UHFFFAOYSA-N
Compound name
4-methyl-N-(5-methyl-1-propa-1,2-dienylimidazol-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 167.0
[M+Na]+ 312.07772 177.2
[M-H]- 288.08122 172.2
[M+NH4]+ 307.12232 182.5
[M+K]+ 328.05166 171.3
[M+H-H2O]+ 272.08576 159.5
[M+HCOO]- 334.08670 185.1
[M+CH3COO]- 348.10235 199.9
[M+Na-2H]- 310.06317 168.6
[M]+ 289.08795 170.0
[M]- 289.08905 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.