CID 1526581

1-(2-dimethylaminoethyl)-3-phenylurea

Structural Information

Molecular Formula

C₁₁H₁₇N₃O

SMILES

CN(C)CCNC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C11H17N3O/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,12,13,15)

InChIKey

ZXMKJJBVCQPHGU-UHFFFAOYSA-N

Compound name

1-[2-(dimethylamino)ethyl]-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 207.13716 Da
Monoisotopic Mass: 1.3
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]+	208.14444	148.9
[M+Na]+	230.12638	157.9
[M+NH4]+	225.17098	156.4
[M+K]+	246.10032	152.3
[M-H]-	206.12988	152.2
[M+Na-2H]-	228.11183	155.3
[M]+	207.13661	150.7
[M]-	207.13771	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe