CID 23427027

(6z,9z,12z,15z)-1-(2,4,6-trihydroxyphenyl)octadeca-6,9,12,15-tetraen-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]+ 385.237346 198.1
[M+Na]+ 407.219288 201.7
[M-H]- 383.222794 196.0
[M+NH4]+ 402.263893 208.2
[M+K]+ 423.193228 193.4
[M+H-H2O]+ 367.227330 190.9
[M+HCOO]- 429.228271 213.9
[M+CH3COO]- 443.243921 214.9
[M+Na-2H]- 405.204736 193.8
[M]+ 384.22952142 200.2
[M]- 384.23061858 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.