CID 3007522

Chembl26190

Structural Information

Molecular Formula
C16H13ClN2OS
SMILES
C=C(C1=CC=CC=C1OCC2=C(SC=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C16H13ClN2OS/c1-12(19-8-7-18-11-19)14-4-2-3-5-15(14)20-10-13-6-9-21-16(13)17/h2-9,11H,1,10H2
InChIKey
OHTXKJYMWDCQOL-UHFFFAOYSA-N
Compound name
1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.0437 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05098 172.1
[M+Na]+ 339.03292 183.5
[M-H]- 315.03642 180.9
[M+NH4]+ 334.07752 189.1
[M+K]+ 355.00686 177.0
[M+H-H2O]+ 299.04096 164.4
[M+HCOO]- 361.04190 187.6
[M+CH3COO]- 375.05755 184.6
[M+Na-2H]- 337.01837 170.5
[M]+ 316.04315 178.9
[M]- 316.04425 178.9
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.