CID 43612091

1258640-27-5

Structural Information

Molecular Formula

C₁₃H₁₅N₃

SMILES

C1CC(NC1)C2=NC=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C13H15N3/c1-2-5-10(6-3-1)12-9-15-13(16-12)11-7-4-8-14-11/h1-3,5-6,9,11,14H,4,7-8H2,(H,15,16)

InChIKey

VDUOVBVLPCYKNE-UHFFFAOYSA-N

Compound name

5-phenyl-2-pyrrolidin-2-yl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 213.1266 Da
Monoisotopic Mass: 1.7
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]+	214.13388	147.7
[M+Na]+	236.11582	153.9
[M-H]-	212.11932	150.8
[M+NH4]+	231.16042	163.8
[M+K]+	252.08976	148.6
[M+H-H2O]+	196.12386	138.5
[M+HCOO]-	258.12480	165.6
[M+CH3COO]-	272.14045	158.5
[M+Na-2H]-	234.10127	149.4
[M]+	213.12605	141.0
[M]-	213.12715	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe