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]+ 429.154406 197.6
[M+Na]+ 451.136348 204.1
[M-H]- 427.139854 201.8
[M+NH4]+ 446.180953 206.1
[M+K]+ 467.110288 201.2
[M+H-H2O]+ 411.144390 188.9
[M+HCOO]- 473.145331 215.9
[M+CH3COO]- 487.160981 226.0
[M+Na-2H]- 449.121796 194.2
[M]+ 428.14658142 205.7
[M]- 428.14767858 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

patents stripe