CID 10065951

3,4-methylenedioxy-2',4',6'-trimethoxychalcone

Structural Information

Molecular Formula
C19H18O6
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)OC
InChI
InChI=1S/C19H18O6/c1-21-13-9-17(22-2)19(18(10-13)23-3)14(20)6-4-12-5-7-15-16(8-12)25-11-24-15/h4-10H,11H2,1-3H3/b6-4+
InChIKey
JVOXGQQMPCSFBL-GQCTYLIASA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

342.11035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 178.0
[M+Na]+ 365.09957 186.2
[M-H]- 341.10307 187.3
[M+NH4]+ 360.14417 191.6
[M+K]+ 381.07351 185.9
[M+H-H2O]+ 325.10761 170.9
[M+HCOO]- 387.10855 198.4
[M+CH3COO]- 401.12420 211.2
[M+Na-2H]- 363.08502 180.7
[M]+ 342.10980 186.2
[M]- 342.11090 186.2
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.