CID 42608080

Amoradinin

Structural Information

Molecular Formula
C27H32O6
SMILES
CC(=CCC1=C(C2=C(C(=C1OC)CC=C(C)C)OC(CC2=O)C3=CC(=C(C=C3)O)OC)O)C
InChI
InChI=1S/C27H32O6/c1-15(2)7-10-18-25(30)24-21(29)14-22(17-9-12-20(28)23(13-17)31-5)33-27(24)19(26(18)32-6)11-8-16(3)4/h7-9,12-13,22,28,30H,10-11,14H2,1-6H3
InChIKey
RIILZRHMYBTZEI-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.21988 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.22716 211.8
[M+Na]+ 475.20910 217.9
[M-H]- 451.21260 217.2
[M+NH4]+ 470.25370 219.6
[M+K]+ 491.18304 214.4
[M+H-H2O]+ 435.21714 203.3
[M+HCOO]- 497.21808 224.0
[M+CH3COO]- 511.23373 236.0
[M+Na-2H]- 473.19455 206.6
[M]+ 452.21933 216.5
[M]- 452.22043 216.5
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.