CID 209225

19481-77-7

Structural Information

Molecular Formula

C₂₃H₂₃N₃O

SMILES

C1CN(CC1NC2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O/c27-23(25-17-16-20(18-25)24-19-10-4-1-5-11-19)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,20,24H,16-18H2

InChIKey

XMHDNXPEJHLAHA-UHFFFAOYSA-N

Compound name

3-anilino-N,N-diphenylpyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 357.1841 Da
Monoisotopic Mass: 4.7
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]+	358.191376	184.6
[M+Na]+	380.173318	186.8
[M-H]-	356.176824	196.1
[M+NH4]+	375.217923	196.1
[M+K]+	396.147258	181.9
[M+H-H2O]+	340.181360	173.1
[M+HCOO]-	402.182301	207.0
[M+CH3COO]-	416.197951	193.7
[M+Na-2H]-	378.158766	186.6
[M]+	357.18355142	180.1
[M]-	357.18464858	180.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe