CID 61121

Morpheridine

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CCOC(=O)C1(CCN(CC1)CCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H30N2O3/c1-2-25-19(23)20(18-6-4-3-5-7-18)8-10-21(11-9-20)12-13-22-14-16-24-17-15-22/h3-7H,2,8-17H2,1H3
InChIKey
JDEDMCKQPKGSAX-UHFFFAOYSA-N
Compound name
ethyl 1-(2-morpholin-4-ylethyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1402
Patents

346.22565 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.232926 186.9
[M+Na]+ 369.214868 187.7
[M-H]- 345.218374 191.8
[M+NH4]+ 364.259473 196.5
[M+K]+ 385.188808 185.7
[M+H-H2O]+ 329.222910 175.4
[M+HCOO]- 391.223851 198.0
[M+CH3COO]- 405.239501 209.6
[M+Na-2H]- 367.200316 187.8
[M]+ 346.22510142 181.7
[M]- 346.22619858 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe