CID 131752971

(all-e)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one

Structural Information

Molecular Formula
C19H16O3
SMILES
C1=CC(=CC=C1/C=C/C=C/C(=O)/C=C\C2=CC=C(C=C2)O)O
InChI
InChI=1S/C19H16O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-14,21-22H/b3-1+,4-2+,10-7-
InChIKey
PALMCMYYFAHUGA-ZRFKDBLFSA-N
Compound name
(1Z,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 170.7
[M+Na]+ 315.09917 183.7
[M+NH4]+ 310.14377 176.9
[M+K]+ 331.07311 175.8
[M-H]- 291.10267 173.0
[M+Na-2H]- 313.08462 177.3
[M]+ 292.10940 173.0
[M]- 292.11050 173.0
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.