CID 132555867

Chembl5093092

Structural Information

Molecular Formula
C26H36O4
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O
InChI
InChI=1S/C26H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-24(29)26-23(28)18-21(27)19-25(26)30-22/h6-7,9-10,18-20,27-28H,2-5,8,11-17H2,1H3/b7-6-,10-9-
InChIKey
PQPVPXWLCQCEJM-HZJYTTRNSA-N
Compound name
2-[(8Z,11Z)-heptadeca-8,11-dienyl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 206.5
[M+Na]+ 435.25057 211.4
[M-H]- 411.25407 207.4
[M+NH4]+ 430.29517 216.0
[M+K]+ 451.22451 204.6
[M+H-H2O]+ 395.25861 198.1
[M+HCOO]- 457.25955 222.4
[M+CH3COO]- 471.27520 224.3
[M+Na-2H]- 433.23602 205.9
[M]+ 412.26080 213.0
[M]- 412.26190 213.0
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.