CID 131856609

Iprodione tp2

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂N₃O₂

SMILES

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

InChI

InChI=1S/C11H13Cl2N3O2/c1-6(2)14-10(17)16-11(18)15-9-4-7(12)3-8(13)5-9/h3-6H,1-2H3,(H3,14,15,16,17,18)

InChIKey

MLYSJLQSYCTSDE-UHFFFAOYSA-N

Compound name

1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 289.03848 Da
Monoisotopic Mass: 3.7
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]+	290.045756	164.0
[M+Na]+	312.027698	171.0
[M-H]-	288.031204	167.4
[M+NH4]+	307.072303	180.4
[M+K]+	328.001638	166.6
[M+H-H2O]+	272.035740	159.4
[M+HCOO]-	334.036681	179.4
[M+CH3COO]-	348.052331	205.2
[M+Na-2H]-	310.013146	165.5
[M]+	289.03793142	165.9
[M]-	289.03902858	165.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.