CID 13508018

Chembl18144

Structural Information

Molecular Formula
C18H18N2O4S
SMILES
COC1=CC=C(C=C1)C2=C(N=C(N2)S(=O)(=O)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H18N2O4S/c1-23-14-8-4-12(5-9-14)16-17(20-18(19-16)25(3,21)22)13-6-10-15(24-2)11-7-13/h4-11H,1-3H3,(H,19,20)
InChIKey
VIUWNARVSJPVFA-UHFFFAOYSA-N
Compound name
4,5-bis(4-methoxyphenyl)-2-methylsulfonyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

358.09872 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10600 183.4
[M+Na]+ 381.08794 193.3
[M-H]- 357.09144 190.7
[M+NH4]+ 376.13254 195.3
[M+K]+ 397.06188 187.9
[M+H-H2O]+ 341.09598 175.1
[M+HCOO]- 403.09692 199.1
[M+CH3COO]- 417.11257 208.2
[M+Na-2H]- 379.07339 184.2
[M]+ 358.09817 188.8
[M]- 358.09927 188.8
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.