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]+ 318.242746 180.0
[M+Na]+ 340.224688 182.2
[M-H]- 316.228194 187.4
[M+NH4]+ 335.269293 193.2
[M+K]+ 356.198628 181.3
[M+H-H2O]+ 300.232730 170.0
[M+HCOO]- 362.233671 192.2
[M+CH3COO]- 376.249321 188.6
[M+Na-2H]- 338.210136 183.6
[M]+ 317.23492142 175.4
[M]- 317.23601858 175.4
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.