CID 3067888

Brn 5277533

Structural Information

Molecular Formula
C23H40O3
SMILES
COC1CCC(CC1)C2CC(OC3C2CCCC3)C4CCC(CC4)OC
InChI
InChI=1S/C23H40O3/c1-24-18-11-7-16(8-12-18)21-15-23(17-9-13-19(25-2)14-10-17)26-22-6-4-3-5-20(21)22/h16-23H,3-15H2,1-2H3
InChIKey
UHQUHBMNMDCXBQ-UHFFFAOYSA-N
Compound name
2,4-bis(4-methoxycyclohexyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.29776 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.30504 194.4
[M+Na]+ 387.28698 203.6
[M+NH4]+ 382.33158 203.6
[M+K]+ 403.26092 195.7
[M-H]- 363.29048 202.1
[M+Na-2H]- 385.27243 196.6
[M]+ 364.29721 197.7
[M]- 364.29831 197.7
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.