CID 131752986

1,5-bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one

Structural Information

Molecular Formula
C19H18O5
SMILES
COC1=C(C=CC(=C1)/C=C\C(=O)/C=C\C2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3-,8-4-
InChIKey
ISIMGBQRFXXNON-VHOZIDCHSA-N
Compound name
(1Z,4Z)-1,5-bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

326.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 176.8
[M+Na]+ 349.10464 189.5
[M+NH4]+ 344.14924 182.1
[M+K]+ 365.07858 183.2
[M-H]- 325.10814 178.5
[M+Na-2H]- 347.09009 182.1
[M]+ 326.11487 178.9
[M]- 326.11597 178.9
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

patents stripe