CID 84980

N'-(3,4-dichlorophenyl)-n,n-diethylurea

Structural Information

Molecular Formula

C₁₁H₁₄Cl₂N₂O

SMILES

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

InChI

InChI=1S/C11H14Cl2N2O/c1-3-15(4-2)11(16)14-8-5-6-9(12)10(13)7-8/h5-7H,3-4H2,1-2H3,(H,14,16)

InChIKey

XENORHLEQQVHAP-UHFFFAOYSA-N

Compound name

3-(3,4-dichlorophenyl)-1,1-diethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 236
Patents: 260.0483 Da
Monoisotopic Mass: 3.4
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]+	261.055576	157.1
[M+Na]+	283.037518	165.2
[M-H]-	259.041024	161.5
[M+NH4]+	278.082123	175.7
[M+K]+	299.011458	161.0
[M+H-H2O]+	243.045560	152.3
[M+HCOO]-	305.046501	173.3
[M+CH3COO]-	319.062151	201.7
[M+Na-2H]-	281.022966	159.9
[M]+	260.04775142	161.4
[M]-	260.04884858	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe