CID 209548

19985-24-1

Structural Information

Molecular Formula

C₁₈H₂₁N₃O

SMILES

C1CN(CC1NC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O/c22-18(19-16-9-5-2-6-10-16)20-17-11-12-21(14-17)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H2,19,20,22)

InChIKey

RKROQEVUVQKKGT-UHFFFAOYSA-N

Compound name

1-(1-benzylpyrrolidin-3-yl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.16846 Da
Monoisotopic Mass: 2.7
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]+	296.175736	168.7
[M+Na]+	318.157678	171.9
[M-H]-	294.161184	176.2
[M+NH4]+	313.202283	182.9
[M+K]+	334.131618	167.2
[M+H-H2O]+	278.165720	158.8
[M+HCOO]-	340.166661	191.2
[M+CH3COO]-	354.182311	178.7
[M+Na-2H]-	316.143126	171.7
[M]+	295.16791142	164.0
[M]-	295.16900858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe