CID 3007471

Chembl442533

Structural Information

Molecular Formula
C20H20N2O
SMILES
C=C(C1=CC=CC=C1OCCCC2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C20H20N2O/c1-17(22-14-13-21-16-22)19-11-5-6-12-20(19)23-15-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-14,16H,1,7,10,15H2
InChIKey
PUAAXMSLUSCLDA-UHFFFAOYSA-N
Compound name
1-[1-[2-(3-phenylpropoxy)phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.15756 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16484 173.6
[M+Na]+ 327.14678 179.5
[M-H]- 303.15028 180.0
[M+NH4]+ 322.19138 186.6
[M+K]+ 343.12072 173.8
[M+H-H2O]+ 287.15482 163.0
[M+HCOO]- 349.15576 194.7
[M+CH3COO]- 363.17141 184.0
[M+Na-2H]- 325.13223 176.1
[M]+ 304.15701 174.2
[M]- 304.15811 174.2
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.