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

literature stripe

Patent stripe

patents stripe