CID 5341931

1058712-23-4

Structural Information

Molecular Formula
C18H16O5
SMILES
COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)OC
InChI
InChI=1S/C18H16O5/c1-20-15-8-5-13(10-17(15)21-2)14(19)6-3-12-4-7-16-18(9-12)23-11-22-16/h3-10H,11H2,1-2H3/b6-3+
InChIKey
FBXJBLNGPPHWDT-ZZXKWVIFSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

312.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 169.8
[M+Na]+ 335.08898 183.2
[M+NH4]+ 330.13358 177.0
[M+K]+ 351.06292 179.1
[M-H]- 311.09248 175.5
[M+Na-2H]- 333.07443 174.6
[M]+ 312.09921 173.3
[M]- 312.10031 173.3
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