CID 3108117

Conferone

Structural Information

Molecular Formula
C24H28O4
SMILES
CC1=CCC2C(C(=O)CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)(C)C
InChI
InChI=1S/C24H28O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20H,9,11-12,14H2,1-4H3
InChIKey
VPAXJOUATWLOPR-UHFFFAOYSA-N
Compound name
7-[(2,5,5,8a-tetramethyl-6-oxo-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4914
Patents

380.19876 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20604 190.6
[M+Na]+ 403.18798 205.6
[M+NH4]+ 398.23258 201.9
[M+K]+ 419.16192 193.4
[M-H]- 379.19148 197.2
[M+Na-2H]- 401.17343 198.2
[M]+ 380.19821 195.2
[M]- 380.19931 195.2
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