CID 3053129

Brn 4738011

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CCC(=O)OC1(CCN(C1C)CCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H30N2O3/c1-3-19(23)25-20(18-7-5-4-6-8-18)9-10-22(17(20)2)12-11-21-13-15-24-16-14-21/h4-8,17H,3,9-16H2,1-2H3
InChIKey
BKADKDNJEYGVFJ-UHFFFAOYSA-N
Compound name
[2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.22565 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.232926 185.9
[M+Na]+ 369.214868 188.6
[M-H]- 345.218374 191.8
[M+NH4]+ 364.259473 197.9
[M+K]+ 385.188808 186.5
[M+H-H2O]+ 329.222910 175.9
[M+HCOO]- 391.223851 199.4
[M+CH3COO]- 405.239501 210.1
[M+Na-2H]- 367.200316 184.5
[M]+ 346.22510142 183.5
[M]- 346.22619858 183.5
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.