CID 19569708

(e)-3-(3,4-dimethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C20H18N2O3
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)N3C=CN=C3)OC
InChI
InChI=1S/C20H18N2O3/c1-24-19-10-4-15(13-20(19)25-2)3-9-18(23)16-5-7-17(8-6-16)22-12-11-21-14-22/h3-14H,1-2H3/b9-3+
InChIKey
DKFIRVBJVGRMPN-YCRREMRBSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.13174 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 179.2
[M+Na]+ 357.12096 187.0
[M-H]- 333.12446 186.6
[M+NH4]+ 352.16556 191.5
[M+K]+ 373.09490 182.0
[M+H-H2O]+ 317.12900 168.8
[M+HCOO]- 379.12994 200.9
[M+CH3COO]- 393.14559 209.2
[M+Na-2H]- 355.10641 180.3
[M]+ 334.13119 182.6
[M]- 334.13229 182.6
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.