CID 3007463

Chembl27359

Structural Information

Molecular Formula
C18H15ClN2O
SMILES
C=C(C1=C(C=CC(=C1)Cl)OCC2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-11-16(19)7-8-18(17)22-12-15-5-3-2-4-6-15/h2-11,13H,1,12H2
InChIKey
XGMAJGBFBJBIAY-UHFFFAOYSA-N
Compound name
1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.08728 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09456 171.7
[M+Na]+ 333.07650 180.3
[M-H]- 309.08000 178.6
[M+NH4]+ 328.12110 185.8
[M+K]+ 349.05044 173.3
[M+H-H2O]+ 293.08454 161.9
[M+HCOO]- 355.08548 188.8
[M+CH3COO]- 369.10113 182.9
[M+Na-2H]- 331.06195 174.0
[M]+ 310.08673 174.3
[M]- 310.08783 174.3
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.