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]+ 295.13286 170.0
[M+Na]+ 317.11480 175.9
[M-H]- 293.11830 173.6
[M+NH4]+ 312.15940 183.7
[M+K]+ 333.08874 169.6
[M+H-H2O]+ 277.12284 162.4
[M+HCOO]- 339.12378 189.9
[M+CH3COO]- 353.13943 197.6
[M+Na-2H]- 315.10025 171.8
[M]+ 294.12503 169.2
[M]- 294.12613 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.