CID 139583875

Moniliferanone a

Structural Information

Molecular Formula
C24H34O4
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C24H34O4/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/h6-7,9-10,12-13,18-19,25,27-28H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
InChIKey
DCMWSQRJGNQTRZ-QNEBEIHSSA-N
Compound name
(6Z,9Z,12Z)-1-(2,4,6-trihydroxyphenyl)octadeca-6,9,12-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2457 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.25298 199.4
[M+Na]+ 409.23492 202.7
[M-H]- 385.23842 197.2
[M+NH4]+ 404.27952 209.4
[M+K]+ 425.20886 195.0
[M+H-H2O]+ 369.24296 192.0
[M+HCOO]- 431.24390 215.0
[M+CH3COO]- 445.25955 216.2
[M+Na-2H]- 407.22037 195.0
[M]+ 386.24515 202.3
[M]- 386.24625 202.3
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.