CID 209552

19985-27-4

Structural Information

Molecular Formula

C₁₇H₁₉N₃O

SMILES

C1CNCC1NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O/c21-17(19-14-11-12-18-13-14)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2,(H,19,21)

InChIKey

IJIKSCJYMQDCIM-UHFFFAOYSA-N

Compound name

1,1-diphenyl-3-pyrrolidin-3-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 281.1528 Da
Monoisotopic Mass: 2.4
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]+	282.160076	164.3
[M+Na]+	304.142018	166.7
[M-H]-	280.145524	171.7
[M+NH4]+	299.186623	178.7
[M+K]+	320.115958	162.8
[M+H-H2O]+	264.150060	154.6
[M+HCOO]-	326.151001	186.2
[M+CH3COO]-	340.166651	174.3
[M+Na-2H]-	302.127466	167.5
[M]+	281.15225142	158.3
[M]-	281.15334858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe