CID 4548329

1,1-diethyl-3-(2,4-xylyl)urea

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

CCN(CC)C(=O)NC1=C(C=C(C=C1)C)C

InChI

InChI=1S/C13H20N2O/c1-5-15(6-2)13(16)14-12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3,(H,14,16)

InChIKey

OCDMFHDZLCUTRE-UHFFFAOYSA-N

Compound name

3-(2,4-dimethylphenyl)-1,1-diethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 220.15756 Da
Monoisotopic Mass: 2.2
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]+	221.16484	153.2
[M+Na]+	243.14678	164.0
[M+NH4]+	238.19138	161.0
[M+K]+	259.12072	157.8
[M-H]-	219.15028	156.4
[M+Na-2H]-	241.13223	159.1
[M]+	220.15701	155.4
[M]-	220.15811	155.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.