CID 5318568

Dtxsid501130142

Structural Information

Molecular Formula
C22H26O6
SMILES
COC1=CC(=CC(=C1O)OC)CCC(=O)/C=C/CCC2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C22H26O6/c1-26-19-12-15(9-11-18(19)24)6-4-5-7-17(23)10-8-16-13-20(27-2)22(25)21(14-16)28-3/h5,7,9,11-14,24-25H,4,6,8,10H2,1-3H3/b7-5+
InChIKey
GCCMDTDROAUVAS-FNORWQNLSA-N
Compound name
(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
Patents

386.17294 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18022 191.9
[M+Na]+ 409.16216 198.2
[M-H]- 385.16566 195.9
[M+NH4]+ 404.20676 202.4
[M+K]+ 425.13610 194.3
[M+H-H2O]+ 369.17020 183.4
[M+HCOO]- 431.17114 211.0
[M+CH3COO]- 445.18679 218.2
[M+Na-2H]- 407.14761 190.3
[M]+ 386.17239 198.5
[M]- 386.17349 198.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.