CID 3007467

Chembl27201

Structural Information

Molecular Formula
C18H13Cl3N2O
SMILES
C=C(C1=C(C=CC(=C1OCC2=CC=C(C=C2)Cl)Cl)Cl)N3C=CN=C3
InChI
InChI=1S/C18H13Cl3N2O/c1-12(23-9-8-22-11-23)17-15(20)6-7-16(21)18(17)24-10-13-2-4-14(19)5-3-13/h2-9,11H,1,10H2
InChIKey
VGNOHHDFQZNJCE-UHFFFAOYSA-N
Compound name
1-[1-[3,6-dichloro-2-[(4-chlorophenyl)methoxy]phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.00934 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.01662 183.8
[M+Na]+ 400.99856 194.2
[M-H]- 377.00206 189.0
[M+NH4]+ 396.04316 196.1
[M+K]+ 416.97250 185.8
[M+H-H2O]+ 361.00660 174.6
[M+HCOO]- 423.00754 190.0
[M+CH3COO]- 437.02319 193.5
[M+Na-2H]- 398.98401 182.7
[M]+ 378.00879 188.5
[M]- 378.00989 188.5
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.