CID 6479464

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

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
CC/C=C(/C1=C(C=CC(=C1)Cl)OCC2=CC=CC=C2)\N3C=CN=C3
InChI
InChI=1S/C20H19ClN2O/c1-2-6-19(23-12-11-22-15-23)18-13-17(21)9-10-20(18)24-14-16-7-4-3-5-8-16/h3-13,15H,2,14H2,1H3/b19-6-
InChIKey
WSICPZVXIGSDQT-SWNXQHNESA-N
Compound name
1-[(Z)-1-(5-chloro-2-phenylmethoxyphenyl)but-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.1186 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 181.2
[M+Na]+ 361.10782 188.9
[M-H]- 337.11132 187.7
[M+NH4]+ 356.15242 194.1
[M+K]+ 377.08176 181.5
[M+H-H2O]+ 321.11586 170.9
[M+HCOO]- 383.11680 197.5
[M+CH3COO]- 397.13245 191.4
[M+Na-2H]- 359.09327 182.3
[M]+ 338.11805 184.3
[M]- 338.11915 184.3
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.