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]+ 318.16008 176.6
[M+Na]+ 340.14202 183.1
[M-H]- 316.14552 185.0
[M+NH4]+ 335.18662 189.7
[M+K]+ 356.11596 178.0
[M+H-H2O]+ 300.15006 165.9
[M+HCOO]- 362.15100 199.5
[M+CH3COO]- 376.16665 212.1
[M+Na-2H]- 338.12747 178.3
[M]+ 317.15225 177.5
[M]- 317.15335 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.