CID 5675

Vismiaphenone d

Structural Information

Molecular Formula
C24H28O5
SMILES
CC(=CCC1=C(C(=C(C(=C1OC)CC=C(C)C)O)C(=O)C2=CC=C(C=C2)O)O)C
InChI
InChI=1S/C24H28O5/c1-14(2)6-12-18-22(27)20(21(26)16-8-10-17(25)11-9-16)23(28)19(24(18)29-5)13-7-15(3)4/h6-11,25,27-28H,12-13H2,1-5H3
InChIKey
FKLXSDINWGPHEI-UHFFFAOYSA-N
Compound name
[2,6-dihydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

396.19366 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20094 195.7
[M+Na]+ 419.18288 201.6
[M-H]- 395.18638 198.6
[M+NH4]+ 414.22748 205.4
[M+K]+ 435.15682 196.6
[M+H-H2O]+ 379.19092 188.3
[M+HCOO]- 441.19186 210.6
[M+CH3COO]- 455.20751 221.7
[M+Na-2H]- 417.16833 189.6
[M]+ 396.19311 198.3
[M]- 396.19421 198.3
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.