CID 75225113

7-[(4-hydroxy-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2h-naphthalen-1-yl)methoxy]chromen-2-one

Structural Information

Molecular Formula
C24H30O5
SMILES
CC1CC(C2(C(C(=O)CCC2C1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)C)C)O
InChI
InChI=1S/C24H30O5/c1-14-11-21(26)24(4)15(2)18(25)8-9-20(24)23(14,3)13-28-17-7-5-16-6-10-22(27)29-19(16)12-17/h5-7,10,12,14-15,20-21,26H,8-9,11,13H2,1-4H3
InChIKey
XYUJBOZUFFMPGO-UHFFFAOYSA-N
Compound name
7-[(4-hydroxy-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl)methoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

398.20932 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21660 194.5
[M+Na]+ 421.19854 207.9
[M+NH4]+ 416.24314 204.8
[M+K]+ 437.17248 196.9
[M-H]- 397.20204 199.9
[M+Na-2H]- 419.18399 200.1
[M]+ 398.20877 198.4
[M]- 398.20987 198.4
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