CID 68899

Prifuroline

Structural Information

Molecular Formula

C₁₄H₁₆N₂O

SMILES

CN(C)C1=NCC(C1)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C14H16N2O/c1-16(2)14-8-11(9-15-14)13-7-10-5-3-4-6-12(10)17-13/h3-7,11H,8-9H2,1-2H3

InChIKey

IYMLHOSZPZHXCR-UHFFFAOYSA-N

Compound name

3-(1-benzofuran-2-yl)-N,N-dimethyl-3,4-dihydro-2H-pyrrol-5-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 52
Patents: 228.12627 Da
Monoisotopic Mass: 1.5
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]+	229.133546	150.4
[M+Na]+	251.115488	159.6
[M-H]-	227.118994	159.6
[M+NH4]+	246.160093	171.1
[M+K]+	267.089428	158.1
[M+H-H2O]+	211.123530	143.5
[M+HCOO]-	273.124471	175.8
[M+CH3COO]-	287.140121	164.8
[M+Na-2H]-	249.100936	155.0
[M]+	228.12572142	153.8
[M]-	228.12681858	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe