CID 73665

Prochloraz

Structural Information

Molecular Formula

C₁₅H₁₆Cl₃N₃O₂

SMILES

CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2

InChI

InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3

InChIKey

TVLSRXXIMLFWEO-UHFFFAOYSA-N

Compound name

N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 11066
References: 81122
Patents: 375.03082 Da
Monoisotopic Mass: 4.6
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]+	376.038096	182.6
[M+Na]+	398.020038	191.3
[M-H]-	374.023544	186.1
[M+NH4]+	393.064643	195.6
[M+K]+	413.993978	185.7
[M+H-H2O]+	358.028080	174.4
[M+HCOO]-	420.029021	190.3
[M+CH3COO]-	434.044671	216.9
[M+Na-2H]-	396.005486	181.5
[M]+	375.03027142	189.8
[M]-	375.03136858	189.8

Literature stripe

literature stripe

Patent stripe

patents stripe