CID 3007490

Chembl30255

Structural Information

Molecular Formula
C19H16Cl2N2O
SMILES
CC(C1=CC=C(C=C1)Cl)OC2=C(C=C(C=C2)Cl)C(=C)N3C=CN=C3
InChI
InChI=1S/C19H16Cl2N2O/c1-13(23-10-9-22-12-23)18-11-17(21)7-8-19(18)24-14(2)15-3-5-16(20)6-4-15/h3-12,14H,1H2,2H3
InChIKey
ATDCAUDMJPLMIB-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-[1-(4-chlorophenyl)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 181.6
[M+Na]+ 381.05318 190.6
[M-H]- 357.05668 188.0
[M+NH4]+ 376.09778 194.4
[M+K]+ 397.02712 182.9
[M+H-H2O]+ 341.06122 172.2
[M+HCOO]- 403.06216 192.2
[M+CH3COO]- 417.07781 191.8
[M+Na-2H]- 379.03863 180.8
[M]+ 358.06341 185.7
[M]- 358.06451 185.7
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.