CID 217114

38124-02-6

Structural Information

Molecular Formula

C₂₀H₂₉N₃O₃

SMILES

CCC[C@@H]1[C@@H](CC(=O)N1C2=CC=C(C=C2)OCC)C(=O)N3CCNCC3

InChI

InChI=1S/C20H29N3O3/c1-3-5-18-17(20(25)22-12-10-21-11-13-22)14-19(24)23(18)15-6-8-16(9-7-15)26-4-2/h6-9,17-18,21H,3-5,10-14H2,1-2H3/t17-,18-/m1/s1

InChIKey

GOTHINPUILBLAM-QZTJIDSGSA-N

Compound name

(4R,5R)-1-(4-ethoxyphenyl)-4-(piperazine-1-carbonyl)-5-propylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 359.2209 Da
Monoisotopic Mass: 1.5
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]+	360.228176	190.2
[M+Na]+	382.210118	193.3
[M-H]-	358.213624	193.2
[M+NH4]+	377.254723	199.3
[M+K]+	398.184058	188.4
[M+H-H2O]+	342.218160	179.5
[M+HCOO]-	404.219101	201.8
[M+CH3COO]-	418.234751	212.7
[M+Na-2H]-	380.195566	185.2
[M]+	359.22035142	185.7
[M]-	359.22144858	185.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.