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 180.0
[M+Na]+ 340.22469 182.2
[M-H]- 316.22819 187.4
[M+NH4]+ 335.26929 193.2
[M+K]+ 356.19863 181.3
[M+H-H2O]+ 300.23273 170.0
[M+HCOO]- 362.23367 192.2
[M+CH3COO]- 376.24932 188.6
[M+Na-2H]- 338.21014 183.6
[M]+ 317.23492 175.4
[M]- 317.23602 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.