CID 205684

18471-30-2

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₂

SMILES

CCN1CCC(C1)NC(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H21N3O2/c1-3-17-9-8-12(10-17)16-14(18)15-11-4-6-13(19-2)7-5-11/h4-7,12H,3,8-10H2,1-2H3,(H2,15,16,18)

InChIKey

AZKKREYRSKLZMK-UHFFFAOYSA-N

Compound name

1-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.1634 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]+	264.170676	161.5
[M+Na]+	286.152618	166.0
[M-H]-	262.156124	166.5
[M+NH4]+	281.197223	177.9
[M+K]+	302.126558	163.6
[M+H-H2O]+	246.160660	153.1
[M+HCOO]-	308.161601	184.2
[M+CH3COO]-	322.177251	200.2
[M+Na-2H]-	284.138066	163.5
[M]+	263.16285142	159.7
[M]-	263.16394858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe