CID 75225113

Refchem:914170

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

2
References

0
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 194.3
[M+Na]+ 421.19854 202.3
[M-H]- 397.20204 201.7
[M+NH4]+ 416.24314 209.8
[M+K]+ 437.17248 199.1
[M+H-H2O]+ 381.20658 185.7
[M+HCOO]- 443.20752 205.8
[M+CH3COO]- 457.22317 224.1
[M+Na-2H]- 419.18399 196.4
[M]+ 398.20877 195.2
[M]- 398.20987 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.