CID 23427027

1-(2,4,6-trihydroxyphenyl)-6z,9z,12z,15z-octadecatetraen-1-one

Structural Information

Molecular Formula
C24H32O4
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C24H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)24-22(27)18-20(25)19-23(24)28/h3-4,6-7,9-10,12-13,18-19,25,27-28H,2,5,8,11,14-17H2,1H3/b4-3-,7-6-,10-9-,13-12-
InChIKey
JPYHHZQJCSQRJY-LTKCOYKYSA-N
Compound name
(6Z,9Z,12Z,15Z)-1-(2,4,6-trihydroxyphenyl)octadeca-6,9,12,15-tetraen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.23007 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23735 198.1
[M+Na]+ 407.21929 201.7
[M-H]- 383.22279 196.0
[M+NH4]+ 402.26389 208.2
[M+K]+ 423.19323 193.4
[M+H-H2O]+ 367.22733 190.9
[M+HCOO]- 429.22827 213.9
[M+CH3COO]- 443.24392 214.9
[M+Na-2H]- 405.20474 193.8
[M]+ 384.22952 200.2
[M]- 384.23062 200.2
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.