CID 139586974

Moniliferanone b

Structural Information

Molecular Formula
C26H36O4
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C26H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-24(29)20-22(27)21-25(26)30/h6-7,9-10,12-13,15-16,20-21,27,29-30H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
YTHCLWOOCGCXRD-DOFZRALJSA-N
Compound name
(5Z,8Z,11Z,14Z)-1-(2,4,6-trihydroxyphenyl)icosa-5,8,11,14-tetraen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.26135 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.26863 206.8
[M+Na]+ 435.25057 209.5
[M-H]- 411.25407 204.2
[M+NH4]+ 430.29517 215.6
[M+K]+ 451.22451 200.8
[M+H-H2O]+ 395.25861 199.1
[M+HCOO]- 457.25955 221.9
[M+CH3COO]- 471.27520 220.8
[M+Na-2H]- 433.23602 201.4
[M]+ 412.26080 209.6
[M]- 412.26190 209.6
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.