CID 474017

178979-98-1

Structural Information

Molecular Formula
C16H22N2O2S
SMILES
CC1=CC(=CC(=C1)S(=O)(=O)C2=C(N=C(N2C)C)C(C)C)C
InChI
InChI=1S/C16H22N2O2S/c1-10(2)15-16(18(6)13(5)17-15)21(19,20)14-8-11(3)7-12(4)9-14/h7-10H,1-6H3
InChIKey
WPLXBXKDMFXANH-UHFFFAOYSA-N
Compound name
5-(3,5-dimethylphenyl)sulfonyl-1,2-dimethyl-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

306.1402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14748 170.6
[M+Na]+ 329.12942 181.6
[M-H]- 305.13292 176.4
[M+NH4]+ 324.17402 186.4
[M+K]+ 345.10336 177.3
[M+H-H2O]+ 289.13746 163.9
[M+HCOO]- 351.13840 185.6
[M+CH3COO]- 365.15405 206.5
[M+Na-2H]- 327.11487 168.4
[M]+ 306.13965 176.9
[M]- 306.14075 176.9
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

patents stripe