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]+ 290.095776 167.0
[M+Na]+ 312.077718 177.2
[M-H]- 288.081224 172.2
[M+NH4]+ 307.122323 182.5
[M+K]+ 328.051658 171.3
[M+H-H2O]+ 272.085760 159.5
[M+HCOO]- 334.086701 185.1
[M+CH3COO]- 348.102351 199.9
[M+Na-2H]- 310.063166 168.6
[M]+ 289.08795142 170.0
[M]- 289.08904858 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.