CID 480785

3'-dimethylallylkievitone

Structural Information

Molecular Formula
C25H28O6
SMILES
CC(=CCC1=C(C=CC(=C1O)C2COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)29)18-12-31-25-17(8-6-14(3)4)20(27)11-21(28)22(25)24(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3
InChIKey
FSHPJPOJLGCQOJ-UHFFFAOYSA-N
Compound name
3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

7
Patents

424.1886 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19588 203.9
[M+Na]+ 447.17782 210.0
[M-H]- 423.18132 207.0
[M+NH4]+ 442.22242 211.5
[M+K]+ 463.15176 205.5
[M+H-H2O]+ 407.18586 196.4
[M+HCOO]- 469.18680 213.7
[M+CH3COO]- 483.20245 226.2
[M+Na-2H]- 445.16327 198.8
[M]+ 424.18805 204.5
[M]- 424.18915 204.5
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