CID 641619

(4e,6e)-1-(3,4-dihydroxyphenyl)-7-phenylhepta-4,6-dien-3-one

Structural Information

Molecular Formula
C19H18O3
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)CCC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C19H18O3/c20-17(9-5-4-8-15-6-2-1-3-7-15)12-10-16-11-13-18(21)19(22)14-16/h1-9,11,13-14,21-22H,10,12H2/b8-4+,9-5+
InChIKey
NDNXUPPJUCZTKB-KBXRYBNXSA-N
Compound name
(4E,6E)-1-(3,4-dihydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

294.12558 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.132856 170.0
[M+Na]+ 317.114798 175.9
[M-H]- 293.118304 173.6
[M+NH4]+ 312.159403 183.7
[M+K]+ 333.088738 169.6
[M+H-H2O]+ 277.122840 162.4
[M+HCOO]- 339.123781 189.9
[M+CH3COO]- 353.139431 197.6
[M+Na-2H]- 315.100246 171.8
[M]+ 294.12503142 169.2
[M]- 294.12612858 169.2
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.