CID 3007523

Chembl282861

Structural Information

Molecular Formula
C16H11Cl3N2OS
SMILES
C=C(C1=C(C(=CC(=C1)Cl)Cl)OCC2=C(SC=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C16H11Cl3N2OS/c1-10(21-4-3-20-9-21)13-6-12(17)7-14(18)15(13)22-8-11-2-5-23-16(11)19/h2-7,9H,1,8H2
InChIKey
XVBLKBBIDUBWTI-UHFFFAOYSA-N
Compound name
1-[1-[3,5-dichloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.96576 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.97304 185.5
[M+Na]+ 406.95498 198.1
[M-H]- 382.95848 192.7
[M+NH4]+ 401.99958 200.6
[M+K]+ 422.92892 190.4
[M+H-H2O]+ 366.96302 178.5
[M+HCOO]- 428.96396 190.0
[M+CH3COO]- 442.97961 196.3
[M+Na-2H]- 404.94043 180.8
[M]+ 383.96521 193.7
[M]- 383.96631 193.7
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.