CID 1131802

351353-48-5

Structural Information

Molecular Formula
C21H18N2O3S
SMILES
COC1=CC(=CC(=C1O)OC)C2=NC(=C(N2)C3=CC=CS3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23)
InChIKey
JMXVHYPSBANVAQ-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

31
Patents

378.10382 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11110 187.3
[M+Na]+ 401.09304 198.3
[M-H]- 377.09654 197.6
[M+NH4]+ 396.13764 199.9
[M+K]+ 417.06698 191.5
[M+H-H2O]+ 361.10108 179.4
[M+HCOO]- 423.10202 205.5
[M+CH3COO]- 437.11767 198.6
[M+Na-2H]- 399.07849 185.0
[M]+ 378.10327 193.0
[M]- 378.10437 193.0
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