CID 48084

66827-41-6

Structural Information

Molecular Formula
C20H29NO3
SMILES
C1CCC(CC1)C(C2=CC=CC=C2)C(=O)OCCN3CCOCC3
InChI
InChI=1S/C20H29NO3/c22-20(24-16-13-21-11-14-23-15-12-21)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7-8,18-19H,2,5-6,9-16H2
InChIKey
LTQNGVKSCYZOJZ-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-cyclohexyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 182.1
[M+Na]+ 354.203968 180.6
[M-H]- 330.207474 187.7
[M+NH4]+ 349.248573 191.2
[M+K]+ 370.177908 178.9
[M+H-H2O]+ 314.212010 171.3
[M+HCOO]- 376.212951 193.5
[M+CH3COO]- 390.228601 207.1
[M+Na-2H]- 352.189416 181.6
[M]+ 331.21420142 175.1
[M]- 331.21529858 175.1
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.