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

8
Annotation Hits: 5
References: 8046
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]+	334.13488	176.3
[M+Na]+	356.11682	182.5
[M-H]-	332.12032	177.3
[M+NH4]+	351.16142	189.2
[M+K]+	372.09076	181.1
[M+H-H2O]+	316.12486	165.3
[M+HCOO]-	378.12580	197.9
[M+CH3COO]-	392.14145	215.6
[M+Na-2H]-	354.10227	175.3
[M]+	333.12705	185.9
[M]-	333.12815	185.9

Literature stripe

literature stripe

Patent stripe

patents stripe