CID 3007464

Chembl281226

Structural Information

Molecular Formula
C21H22N2O
SMILES
CC(C)C1=CC=C(C=C1)COC2=CC=CC=C2C(=C)N3C=CN=C3
InChI
InChI=1S/C21H22N2O/c1-16(2)19-10-8-18(9-11-19)14-24-21-7-5-4-6-20(21)17(3)23-13-12-22-15-23/h4-13,15-16H,3,14H2,1-2H3
InChIKey
FGJVNQKOQCMANX-UHFFFAOYSA-N
Compound name
1-[1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.17322 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.180496 178.1
[M+Na]+ 341.162438 184.2
[M-H]- 317.165944 185.0
[M+NH4]+ 336.207043 190.9
[M+K]+ 357.136378 178.8
[M+H-H2O]+ 301.170480 167.8
[M+HCOO]- 363.171421 197.9
[M+CH3COO]- 377.187071 209.1
[M+Na-2H]- 339.147886 178.3
[M]+ 318.17267142 178.9
[M]- 318.17376858 178.9
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.