CID 3007475

Chembl27354

Structural Information

Molecular Formula
C19H16Cl2N2O
SMILES
C=C(C1=CC=CC=C1OCCC2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3
InChI
InChI=1S/C19H16Cl2N2O/c1-14(23-10-9-22-13-23)17-4-2-3-5-19(17)24-11-8-15-6-7-16(20)12-18(15)21/h2-7,9-10,12-13H,1,8,11H2
InChIKey
RIQZKQIXEVJOFK-UHFFFAOYSA-N
Compound name
1-[1-[2-[2-(2,4-dichlorophenyl)ethoxy]phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.06396 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07124 182.6
[M+Na]+ 381.05318 191.9
[M-H]- 357.05668 188.7
[M+NH4]+ 376.09778 195.3
[M+K]+ 397.02712 183.6
[M+H-H2O]+ 341.06122 172.8
[M+HCOO]- 403.06216 194.0
[M+CH3COO]- 417.07781 192.7
[M+Na-2H]- 379.03863 182.7
[M]+ 358.06341 187.0
[M]- 358.06451 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.