CID 5017456

3-(3,4-dichlorophenyl)-1-methyl-1-propionylurea

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂O₂

SMILES

CCC(=O)N(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C11H12Cl2N2O2/c1-3-10(16)15(2)11(17)14-7-4-5-8(12)9(13)6-7/h4-6H,3H2,1-2H3,(H,14,17)

InChIKey

YQDSATSVXNLTLN-UHFFFAOYSA-N

Compound name

N-[(3,4-dichlorophenyl)carbamoyl]-N-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.0276 Da
Monoisotopic Mass: 3.5
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]+	275.034876	158.2
[M+Na]+	297.016818	166.5
[M-H]-	273.020324	163.0
[M+NH4]+	292.061423	176.2
[M+K]+	312.990758	162.7
[M+H-H2O]+	257.024860	153.6
[M+HCOO]-	319.025801	174.1
[M+CH3COO]-	333.041451	203.2
[M+Na-2H]-	295.002266	160.1
[M]+	274.02705142	162.7
[M]-	274.02814858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.