CID 209563

19996-87-3

Structural Information

Molecular Formula

C₁₁H₁₅N₃O

SMILES

C1CNCC1NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C11H15N3O/c15-11(14-10-6-7-12-8-10)13-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H2,13,14,15)

InChIKey

GWEMXUIOODAQAE-UHFFFAOYSA-N

Compound name

1-phenyl-3-pyrrolidin-3-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.1215 Da
Monoisotopic Mass: 0.9
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]+	206.12878	144.7
[M+Na]+	228.11072	148.4
[M-H]-	204.11422	148.1
[M+NH4]+	223.15532	162.2
[M+K]+	244.08466	145.2
[M+H-H2O]+	188.11876	136.7
[M+HCOO]-	250.11970	166.8
[M+CH3COO]-	264.13535	184.3
[M+Na-2H]-	226.09617	149.3
[M]+	205.12095	137.8
[M]-	205.12205	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe