CID 3007505

Chembl26799

Structural Information

Molecular Formula
C20H20N2O
SMILES
CC(=C(C1=CC=CC=C1OCC2=CC=CC=C2)N3C=CN=C3)C
InChI
InChI=1S/C20H20N2O/c1-16(2)20(22-13-12-21-15-22)18-10-6-7-11-19(18)23-14-17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3
InChIKey
GDVNRJHNJLEVSS-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-(2-phenylmethoxyphenyl)prop-1-enyl]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 173.9
[M+Na]+ 327.14678 179.7
[M-H]- 303.15028 180.6
[M+NH4]+ 322.19138 187.0
[M+K]+ 343.12072 174.4
[M+H-H2O]+ 287.15482 163.6
[M+HCOO]- 349.15576 194.1
[M+CH3COO]- 363.17141 184.3
[M+Na-2H]- 325.13223 175.3
[M]+ 304.15701 173.9
[M]- 304.15811 173.9
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.