CID 521274

50257-40-4

Structural Information

Molecular Formula
C18H26N2O2S
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=CN=C2)C(C)C
InChI
InChI=1S/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3
InChIKey
AGGRGODMKWLSDE-UHFFFAOYSA-N
Compound name
1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

319
Patents

334.1715 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17878 180.6
[M+Na]+ 357.16072 191.3
[M+NH4]+ 352.20532 186.5
[M+K]+ 373.13466 186.7
[M-H]- 333.16422 181.5
[M+Na-2H]- 355.14617 184.9
[M]+ 334.17095 182.8
[M]- 334.17205 182.8
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