CID 6063342

Metochalcone

Structural Information

Molecular Formula
C18H18O4
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C18H18O4/c1-20-14-7-4-13(5-8-14)6-11-17(19)16-10-9-15(21-2)12-18(16)22-3/h4-12H,1-3H3/b11-6+
InChIKey
HVAKUYCEWDPRCA-IZZDOVSWSA-N
Compound name
(E)-1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

948
Patents

298.1205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 169.0
[M+Na]+ 321.10972 183.2
[M+NH4]+ 316.15432 176.1
[M+K]+ 337.08366 175.8
[M-H]- 297.11322 172.5
[M+Na-2H]- 319.09517 176.7
[M]+ 298.11995 172.0
[M]- 298.12105 172.0
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

patents stripe