CID 210875

21820-61-1

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₃

SMILES

CCC(=O)N(C1CCN(C1)CCOC2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-3-22(25)24(18-9-5-4-6-10-18)19-13-14-23(17-19)15-16-27-21-12-8-7-11-20(21)26-2/h4-12,19H,3,13-17H2,1-2H3

InChIKey

XFNCFUZXHMWCAU-UHFFFAOYSA-N

Compound name

N-[1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-3-yl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 368.21 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	369.217276	190.6
[M+Na]+	391.199218	193.4
[M-H]-	367.202724	199.2
[M+NH4]+	386.243823	202.7
[M+K]+	407.173158	190.6
[M+H-H2O]+	351.207260	180.0
[M+HCOO]-	413.208201	211.4
[M+CH3COO]-	427.223851	220.9
[M+Na-2H]-	389.184666	189.4
[M]+	368.20945142	192.3
[M]-	368.21054858	192.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe