CID 3007525

Chembl25795

Structural Information

Molecular Formula
C17H15ClN2OS
SMILES
CC(C1=CSC=C1)OC2=C(C=C(C=C2)Cl)C(=C)N3C=CN=C3
InChI
InChI=1S/C17H15ClN2OS/c1-12(20-7-6-19-11-20)16-9-15(18)3-4-17(16)21-13(2)14-5-8-22-10-14/h3-11,13H,1H2,2H3
InChIKey
BKCFQJSFDAFXNM-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.05936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06664 176.4
[M+Na]+ 353.04858 186.9
[M-H]- 329.05208 185.1
[M+NH4]+ 348.09318 192.8
[M+K]+ 369.02252 180.8
[M+H-H2O]+ 313.05662 168.7
[M+HCOO]- 375.05756 190.5
[M+CH3COO]- 389.07321 188.4
[M+Na-2H]- 351.03403 173.4
[M]+ 330.05881 183.0
[M]- 330.05991 183.0
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

No patent data available for this compound.