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]+ 283.09648 164.3
[M+Na]+ 305.07842 170.3
[M-H]- 281.08192 167.0
[M+NH4]+ 300.12302 177.7
[M+K]+ 321.05236 164.8
[M+H-H2O]+ 265.08646 157.3
[M+HCOO]- 327.08740 182.6
[M+CH3COO]- 341.10305 192.4
[M+Na-2H]- 303.06387 165.5
[M]+ 282.08865 161.9
[M]- 282.08975 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.