CID 9926073

(1e,6e)-1-(4-hydroxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione

Structural Information

Molecular Formula
C19H16O3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O
InChI
InChI=1S/C19H16O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-13,20H,14H2/b12-8+,13-9+
InChIKey
WMRNQEQFTDTOLL-QHKWOANTSA-N
Compound name
(1E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

292.10995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 169.9
[M+Na]+ 315.09917 182.7
[M+NH4]+ 310.14377 176.3
[M+K]+ 331.07311 175.1
[M-H]- 291.10267 172.5
[M+Na-2H]- 313.08462 177.0
[M]+ 292.10940 172.3
[M]- 292.11050 172.3
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

No patent data available for this compound.