CID 31957

Pirimiphos-ethyl

Structural Information

Molecular Formula

C₁₃H₂₄N₃O₃PS

SMILES

CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C

InChI

InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3

InChIKey

TZBPRYIIJAJUOY-UHFFFAOYSA-N

Compound name

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 5
References: 9004
Patents: 333.1276 Da
Monoisotopic Mass: 4.8
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]+	334.134876	176.3
[M+Na]+	356.116818	182.5
[M-H]-	332.120324	177.3
[M+NH4]+	351.161423	189.2
[M+K]+	372.090758	181.1
[M+H-H2O]+	316.124860	165.3
[M+HCOO]-	378.125801	197.9
[M+CH3COO]-	392.141451	215.6
[M+Na-2H]-	354.102266	175.3
[M]+	333.12705142	185.9
[M]-	333.12814858	185.9

Literature stripe

literature stripe

Patent stripe

patents stripe