CID 49778015

Kusukuenol a2

Structural Information

Molecular Formula
C28H40O4
SMILES
CC1=C(C=C(C=C1O)CCCCCCC/C=C\CCCCCC2=CC(=CC(=C2)OC)O)O
InChI
InChI=1S/C28H40O4/c1-22-27(30)19-24(20-28(22)31)16-14-12-10-8-6-4-3-5-7-9-11-13-15-23-17-25(29)21-26(18-23)32-2/h3,5,17-21,29-31H,4,6-16H2,1-2H3/b5-3-
InChIKey
ZVPUEKGDVVDSTC-HYXAFXHYSA-N
Compound name
5-[(Z)-14-(3-hydroxy-5-methoxyphenyl)tetradec-8-enyl]-2-methylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.29266 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.29994 214.5
[M+Na]+ 463.28188 218.1
[M-H]- 439.28538 215.8
[M+NH4]+ 458.32648 222.4
[M+K]+ 479.25582 210.6
[M+H-H2O]+ 423.28992 205.4
[M+HCOO]- 485.29086 230.4
[M+CH3COO]- 499.30651 229.0
[M+Na-2H]- 461.26733 210.2
[M]+ 440.29211 219.8
[M]- 440.29321 219.8
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.