CID 34526

Pirimiphos-methyl

Structural Information

Molecular Formula

C₁₁H₂₀N₃O₃PS

SMILES

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

InChI

InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3

InChIKey

QHOQHJPRIBSPCY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 326
References: 26481
Patents: 305.0963 Da
Monoisotopic Mass: 4.2
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]+	306.103576	167.3
[M+Na]+	328.085518	174.3
[M-H]-	304.089024	168.7
[M+NH4]+	323.130123	181.3
[M+K]+	344.059458	173.4
[M+H-H2O]+	288.093560	156.7
[M+HCOO]-	350.094501	189.5
[M+CH3COO]-	364.110151	209.6
[M+Na-2H]-	326.070966	167.1
[M]+	305.09575142	176.1
[M]-	305.09684858	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe