CID 171119393

Brachyanone e

Structural Information

Molecular Formula
C26H42O4
SMILES
CCC/C=C\CCCCCCCCCCCCC(=O)C1=C(C=C(C(=C1O)C)O)OC
InChI
InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)25-24(30-3)20-23(28)21(2)26(25)29/h6-7,20,28-29H,4-5,8-19H2,1-3H3/b7-6-
InChIKey
ZMZJCQYVUGTQEO-SREVYHEPSA-N
Compound name
(Z)-1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)octadec-14-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.30832 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.31560 209.9
[M+Na]+ 441.29754 212.9
[M-H]- 417.30104 208.9
[M+NH4]+ 436.34214 219.6
[M+K]+ 457.27148 206.9
[M+H-H2O]+ 401.30558 202.0
[M+HCOO]- 463.30652 225.9
[M+CH3COO]- 477.32217 228.5
[M+Na-2H]- 439.28299 204.3
[M]+ 418.30777 217.4
[M]- 418.30887 217.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.