CID 5470820

Nsc705584

Structural Information

Molecular Formula
C23H24O8
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC
InChI
InChI=1S/C23H24O8/c1-28-18-9-14(10-19(29-2)22(18)26)5-7-16(24)13-17(25)8-6-15-11-20(30-3)23(27)21(12-15)31-4/h5-12,26-27H,13H2,1-4H3/b7-5+,8-6+
InChIKey
POWBSRUMKJEPOH-KQQUZDAGSA-N
Compound name
(1E,6E)-1,7-bis(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

428.14713 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.15441 197.6
[M+Na]+ 451.13635 204.1
[M-H]- 427.13985 201.8
[M+NH4]+ 446.18095 206.1
[M+K]+ 467.11029 201.2
[M+H-H2O]+ 411.14439 188.9
[M+HCOO]- 473.14533 215.9
[M+CH3COO]- 487.16098 226.0
[M+Na-2H]- 449.12180 194.2
[M]+ 428.14658 205.7
[M]- 428.14768 205.7
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.