CID 154728220

Ab001

Structural Information

Molecular Formula
C23H24O6
SMILES
COC1=CC(=CC(=C1)/C=C/C(=O)/C=C/C=C/C2=CC(=C(C(=C2)OC)O)OC)OC
InChI
InChI=1S/C23H24O6/c1-26-19-11-17(12-20(15-19)27-2)9-10-18(24)8-6-5-7-16-13-21(28-3)23(25)22(14-16)29-4/h5-15,25H,1-4H3/b7-5+,8-6+,10-9+
InChIKey
LJSMCOGLALRQKD-BISOHRNISA-N
Compound name
(1E,4E,6E)-1-(3,5-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,4,6-trien-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

396.1573 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 195.6
[M+Na]+ 419.14652 208.0
[M+NH4]+ 414.19112 199.7
[M+K]+ 435.12046 201.1
[M-H]- 395.15002 196.9
[M+Na-2H]- 417.13197 199.8
[M]+ 396.15675 197.5
[M]- 396.15785 197.5
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

patents stripe