CID 6479056

(2z,4e)-3-hydroxy-1-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)penta-2,4-dien-1-one

Structural Information

Molecular Formula
C17H14O4
SMILES
C1=CC=C(C(=C1)/C(=C/C(=O)/C=C/C2=CC=C(C=C2)O)/O)O
InChI
InChI=1S/C17H14O4/c18-13-8-5-12(6-9-13)7-10-14(19)11-17(21)15-3-1-2-4-16(15)20/h1-11,18,20-21H/b10-7+,17-11-
InChIKey
AYJMKJOXGZEXDL-RMTJHLMQSA-N
Compound name
(1Z,4E)-1-hydroxy-1-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

282.0892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 164.3
[M+Na]+ 305.078418 170.3
[M-H]- 281.081924 167.0
[M+NH4]+ 300.123023 177.7
[M+K]+ 321.052358 164.8
[M+H-H2O]+ 265.086460 157.3
[M+HCOO]- 327.087401 182.6
[M+CH3COO]- 341.103051 192.4
[M+Na-2H]- 303.063866 165.5
[M]+ 282.08865142 161.9
[M]- 282.08974858 161.9
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.