CID 3007524

Chembl25852

Structural Information

Molecular Formula
C16H12Cl2N2OS
SMILES
C=C(C1=C(C(=CC(=C1)Cl)Cl)OCC2=CSC=C2)N3C=CN=C3
InChI
InChI=1S/C16H12Cl2N2OS/c1-11(20-4-3-19-10-20)14-6-13(17)7-15(18)16(14)21-8-12-2-5-22-9-12/h2-7,9-10H,1,8H2
InChIKey
NYVZIXJQAXEWLE-UHFFFAOYSA-N
Compound name
1-[1-[3,5-dichloro-2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.00473 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.01201 179.0
[M+Na]+ 372.99395 191.2
[M-H]- 348.99745 187.3
[M+NH4]+ 368.03855 195.2
[M+K]+ 388.96789 183.9
[M+H-H2O]+ 333.00199 171.7
[M+HCOO]- 395.00293 189.1
[M+CH3COO]- 409.01858 190.9
[M+Na-2H]- 370.97940 175.9
[M]+ 350.00418 187.0
[M]- 350.00528 187.0
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.