CID 1122713

4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1h-imidazole

Structural Information

Molecular Formula
C21H18N2O2S
SMILES
COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CS3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H18N2O2S/c1-24-16-9-5-14(6-10-16)19-20(15-7-11-17(25-2)12-8-15)23-21(22-19)18-4-3-13-26-18/h3-13H,1-2H3,(H,22,23)
InChIKey
XBMULXNXJLWLLD-UHFFFAOYSA-N
Compound name
4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

362.1089 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11618 184.4
[M+Na]+ 385.09812 195.4
[M-H]- 361.10162 195.5
[M+NH4]+ 380.14272 198.1
[M+K]+ 401.07206 188.7
[M+H-H2O]+ 345.10616 176.0
[M+HCOO]- 407.10710 203.9
[M+CH3COO]- 421.12275 196.2
[M+Na-2H]- 383.08357 182.8
[M]+ 362.10835 190.0
[M]- 362.10945 190.0
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