CID 49778014

Kusukuenol a1

Structural Information

Molecular Formula
C30H44O4
SMILES
CC1=C(C=C(C=C1O)CCCCCCC/C=C\CCCCCCCC2=CC(=CC(=C2)OC)O)O
InChI
InChI=1S/C30H44O4/c1-24-29(32)21-26(22-30(24)33)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-25-19-27(31)23-28(20-25)34-2/h3-4,19-23,31-33H,5-18H2,1-2H3/b4-3-
InChIKey
OGQGONOITDLYJA-ARJAWSKDSA-N
Compound name
5-[(Z)-16-(3-hydroxy-5-methoxyphenyl)hexadec-8-enyl]-2-methylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

468.32397 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.33125 223.2
[M+Na]+ 491.31319 225.8
[M-H]- 467.31669 224.0
[M+NH4]+ 486.35779 229.8
[M+K]+ 507.28713 217.9
[M+H-H2O]+ 451.32123 213.6
[M+HCOO]- 513.32217 238.3
[M+CH3COO]- 527.33782 234.8
[M+Na-2H]- 489.29864 217.8
[M]+ 468.32342 229.1
[M]- 468.32452 229.1
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.