CID 3007514

Chembl29805

Structural Information

Molecular Formula
C22H24N2O
SMILES
CC(=C(C1=CC=CC=C1OCCCC2=CC=CC=C2)N3C=CN=C3)C
InChI
InChI=1S/C22H24N2O/c1-18(2)22(24-15-14-23-17-24)20-12-6-7-13-21(20)25-16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-15,17H,8,11,16H2,1-2H3
InChIKey
CMAGGABCSOCKJN-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-[2-(3-phenylpropoxy)phenyl]prop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.18887 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19615 183.0
[M+Na]+ 355.17809 187.8
[M-H]- 331.18159 189.3
[M+NH4]+ 350.22269 194.9
[M+K]+ 371.15203 182.1
[M+H-H2O]+ 315.18613 172.2
[M+HCOO]- 377.18707 202.4
[M+CH3COO]- 391.20272 210.2
[M+Na-2H]- 353.16354 183.3
[M]+ 332.18832 183.6
[M]- 332.18942 183.6
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.