CID 6479454

1-[(z)-1-(2-benzyloxy-5-chloro-phenyl)prop-1-enyl]imidazole

Structural Information

Molecular Formula
C19H17ClN2O
SMILES
C/C=C(/C1=C(C=CC(=C1)Cl)OCC2=CC=CC=C2)\N3C=CN=C3
InChI
InChI=1S/C19H17ClN2O/c1-2-18(22-11-10-21-14-22)17-12-16(20)8-9-19(17)23-13-15-6-4-3-5-7-15/h2-12,14H,13H2,1H3/b18-2-
InChIKey
RFDXAGHQFGSDIZ-VKNLYSTLSA-N
Compound name
1-[(Z)-1-(5-chloro-2-phenylmethoxyphenyl)prop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.10294 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.110216 176.6
[M+Na]+ 347.092158 184.8
[M-H]- 323.095664 183.4
[M+NH4]+ 342.136763 190.1
[M+K]+ 363.066098 177.6
[M+H-H2O]+ 307.100200 166.6
[M+HCOO]- 369.101141 193.3
[M+CH3COO]- 383.116791 187.3
[M+Na-2H]- 345.077606 178.3
[M]+ 324.10239142 179.4
[M]- 324.10348858 179.4
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.