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]+ 347.23293 185.9
[M+Na]+ 369.21487 188.6
[M-H]- 345.21837 191.8
[M+NH4]+ 364.25947 197.9
[M+K]+ 385.18881 186.5
[M+H-H2O]+ 329.22291 175.9
[M+HCOO]- 391.22385 199.4
[M+CH3COO]- 405.23950 210.1
[M+Na-2H]- 367.20032 184.5
[M]+ 346.22510 183.5
[M]- 346.22620 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.