CID 6474894

Chembl129073

Structural Information

Molecular Formula
C17H14O5
SMILES
C1=CC(=C(C=C1/C=C/C(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C17H14O5/c18-13(5-1-11-3-7-14(19)16(21)9-11)6-2-12-4-8-15(20)17(22)10-12/h1-10,19-22H/b5-1+,6-2+
InChIKey
MOPYIPOZUDHBJM-IJIVKGSJSA-N
Compound name
(1E,4E)-1,5-bis(3,4-dihydroxyphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

46
Patents

298.08414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 167.0
[M+Na]+ 321.07336 174.4
[M-H]- 297.07686 168.9
[M+NH4]+ 316.11796 179.5
[M+K]+ 337.04730 168.4
[M+H-H2O]+ 281.08140 160.2
[M+HCOO]- 343.08234 184.8
[M+CH3COO]- 357.09799 194.1
[M+Na-2H]- 319.05881 167.6
[M]+ 298.08359 165.6
[M]- 298.08469 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe