CID 42607661

Lmpk12120413

Structural Information

Molecular Formula
C26H30O4
SMILES
CC(=CCC1(C(=O)C=C(/C(=C(/C=C/C2=CC=CC=C2)\O)/C1=O)OC)CC=C(C)C)C
InChI
InChI=1S/C26H30O4/c1-18(2)13-15-26(16-14-19(3)4)23(28)17-22(30-5)24(25(26)29)21(27)12-11-20-9-7-6-8-10-20/h6-14,17,27H,15-16H2,1-5H3/b12-11+,24-21+
InChIKey
FHECBCWIVGBBEG-SZFOBQCWSA-N
Compound name
(6E)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.21442 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22170 198.2
[M+Na]+ 429.20364 202.7
[M-H]- 405.20714 202.5
[M+NH4]+ 424.24824 210.3
[M+K]+ 445.17758 196.8
[M+H-H2O]+ 389.21168 191.2
[M+HCOO]- 451.21262 213.2
[M+CH3COO]- 465.22827 224.0
[M+Na-2H]- 427.18909 193.1
[M]+ 406.21387 198.2
[M]- 406.21497 198.2
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.