CID 9905049

Ns00116459

Structural Information

Molecular Formula
C20H19N3O
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)N3C=CN=C3
InChI
InChI=1S/C20H19N3O/c1-22(2)18-8-3-16(4-9-18)5-12-20(24)17-6-10-19(11-7-17)23-14-13-21-15-23/h3-15H,1-2H3/b12-5+
InChIKey
SBKRBXLJWOKQFX-LFYBBSHMSA-N
Compound name
(E)-3-[4-(dimethylamino)phenyl]-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1528 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.160076 176.6
[M+Na]+ 340.142018 183.1
[M-H]- 316.145524 185.0
[M+NH4]+ 335.186623 189.7
[M+K]+ 356.115958 178.0
[M+H-H2O]+ 300.150060 165.9
[M+HCOO]- 362.151001 199.5
[M+CH3COO]- 376.166651 212.1
[M+Na-2H]- 338.127466 178.3
[M]+ 317.15225142 177.5
[M]- 317.15334858 177.5
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.