CID 3076291

Brn 4355638

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCC1(CC(CCO1)(CCN2CCOCC2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H31NO2/c1-3-19(2)17-20(10-14-23-19,18-7-5-4-6-8-18)9-11-21-12-15-22-16-13-21/h4-8H,3,9-17H2,1-2H3
InChIKey
HKKWRSYCBIPVRV-UHFFFAOYSA-N
Compound name
4-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.24275 180.7
[M+Na]+ 340.22469 193.0
[M+NH4]+ 335.26929 191.8
[M+K]+ 356.19863 181.4
[M-H]- 316.22819 189.0
[M+Na-2H]- 338.21014 189.8
[M]+ 317.23492 185.2
[M]- 317.23602 185.2
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.