CID 155884404

Mandipropamid tp3

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₄

SMILES

C#CCOC(C1=CC=C(C=C1)Cl)C(=O)NCCC(=O)O

InChI

InChI=1S/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)

InChIKey

ZNNAJYNLYSBVRG-UHFFFAOYSA-N

Compound name

3-[[2-(4-chlorophenyl)-2-prop-2-ynoxyacetyl]amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 295.06113 Da
Monoisotopic Mass: 1.4
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]+	296.068406	166.7
[M+Na]+	318.050348	174.9
[M-H]-	294.053854	167.2
[M+NH4]+	313.094953	179.8
[M+K]+	334.024288	169.7
[M+H-H2O]+	278.058390	155.2
[M+HCOO]-	340.059331	178.0
[M+CH3COO]-	354.074981	206.5
[M+Na-2H]-	316.035796	166.5
[M]+	295.06058142	164.2
[M]-	295.06167858	164.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.