CID 487114

Chembl97832

Structural Information

Molecular Formula
C22H26O3
SMILES
C1CCC(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)OC4CCCCC4
InChI
InChI=1S/C22H26O3/c23-20-17-13-7-8-14-18(17)21(24)22(25-16-11-5-2-6-12-16)19(20)15-9-3-1-4-10-15/h7-8,13-16H,1-6,9-12H2
InChIKey
VDHSNKIBJKBQQQ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-3-cyclohexyloxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.1882 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19548 181.3
[M+Na]+ 361.17742 183.6
[M-H]- 337.18092 189.5
[M+NH4]+ 356.22202 194.6
[M+K]+ 377.15136 178.7
[M+H-H2O]+ 321.18546 171.4
[M+HCOO]- 383.18640 194.6
[M+CH3COO]- 397.20205 189.6
[M+Na-2H]- 359.16287 180.5
[M]+ 338.18765 173.2
[M]- 338.18875 173.2
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

No patent data available for this compound.