CID 5357431

73806-35-6

Structural Information

Molecular Formula
C17H14O4
SMILES
C1=CC(=C(C=C1O)O)/C=C/C=C/C=C/2\C=CC(=O)C=C2O
InChI
InChI=1S/C17H14O4/c18-14-8-6-12(16(20)10-14)4-2-1-3-5-13-7-9-15(19)11-17(13)21/h1-11,18,20-21H/b3-1+,4-2+,13-5+
InChIKey
DVMBJMXACBGIRX-LVROWTHVSA-N
Compound name
(4E)-4-[(2E,4E)-5-(2,4-dihydroxyphenyl)penta-2,4-dienylidene]-3-hydroxycyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 166.0
[M+Na]+ 305.07842 178.6
[M+NH4]+ 300.12302 171.7
[M+K]+ 321.05236 171.8
[M-H]- 281.08192 167.5
[M+Na-2H]- 303.06387 171.0
[M]+ 282.08865 167.9
[M]- 282.08975 167.9
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.