CID 131752863

Kanzonol i

Structural Information

Molecular Formula
C27H32O5
SMILES
CC(=CCC1=C(C=C2C(=C1OC)CC(CO2)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)OC)C
InChI
InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3
InChIKey
RVKDAOFCDAPVGX-UHFFFAOYSA-N
Compound name
8-[5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.22498 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.23226 210.1
[M+Na]+ 459.21420 217.2
[M-H]- 435.21770 218.1
[M+NH4]+ 454.25880 220.7
[M+K]+ 475.18814 215.2
[M+H-H2O]+ 419.22224 200.6
[M+HCOO]- 481.22318 221.3
[M+CH3COO]- 495.23883 233.6
[M+Na-2H]- 457.19965 210.4
[M]+ 436.22443 214.8
[M]- 436.22553 214.8
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.