CID 3007486

Chembl280588

Structural Information

Molecular Formula
C21H22N2O
SMILES
CCCC(C1=CC=CC=C1)OC2=CC=CC=C2C(=C)N3C=CN=C3
InChI
InChI=1S/C21H22N2O/c1-3-9-20(18-10-5-4-6-11-18)24-21-13-8-7-12-19(21)17(2)23-15-14-22-16-23/h4-8,10-16,20H,2-3,9H2,1H3
InChIKey
NQXBPECNUATGLV-UHFFFAOYSA-N
Compound name
1-[1-[2-(1-phenylbutoxy)phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.17322 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 178.2
[M+Na]+ 341.16244 183.4
[M-H]- 317.16594 184.6
[M+NH4]+ 336.20704 190.6
[M+K]+ 357.13638 177.9
[M+H-H2O]+ 301.17048 167.6
[M+HCOO]- 363.17142 198.0
[M+CH3COO]- 377.18707 207.9
[M+Na-2H]- 339.14789 179.0
[M]+ 318.17267 178.6
[M]- 318.17377 178.6
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.