CID 209550

19985-26-3

Structural Information

Molecular Formula

C₂₄H₂₅N₃O

SMILES

C1CN(CC1NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O/c28-24(25-21-16-17-26(19-21)18-20-10-4-1-5-11-20)27(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,21H,16-19H2,(H,25,28)

InChIKey

DERGOIQEITWKQF-UHFFFAOYSA-N

Compound name

3-(1-benzylpyrrolidin-3-yl)-1,1-diphenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 371.19977 Da
Monoisotopic Mass: 4.4
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]+	372.207046	189.0
[M+Na]+	394.188988	190.7
[M-H]-	370.192494	200.3
[M+NH4]+	389.233593	199.8
[M+K]+	410.162928	185.6
[M+H-H2O]+	354.197030	177.2
[M+HCOO]-	416.197971	211.0
[M+CH3COO]-	430.213621	197.6
[M+Na-2H]-	392.174436	190.4
[M]+	371.19922142	184.8
[M]-	371.20031858	184.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe