CID 210118

Brn 0491862

Structural Information

Molecular Formula

C₁₉H₂₃N₃O₂

SMILES

CN(C1CCN(C1)C(=O)NC2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2/c1-21(16-6-4-3-5-7-16)17-12-13-22(14-17)19(23)20-15-8-10-18(24-2)11-9-15/h3-11,17H,12-14H2,1-2H3,(H,20,23)

InChIKey

GQALAPOYHZGMQA-UHFFFAOYSA-N

Compound name

N-(4-methoxyphenyl)-3-(N-methylanilino)pyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 325.17902 Da
Monoisotopic Mass: 3.1
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]+	326.186296	177.3
[M+Na]+	348.168238	180.9
[M-H]-	324.171744	186.6
[M+NH4]+	343.212843	191.1
[M+K]+	364.142178	178.1
[M+H-H2O]+	308.176280	167.2
[M+HCOO]-	370.177221	200.2
[M+CH3COO]-	384.192871	214.4
[M+Na-2H]-	346.153686	178.4
[M]+	325.17847142	176.0
[M]-	325.17956858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe