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

26281
Patents

305.0963 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10358 167.3
[M+Na]+ 328.08552 174.3
[M-H]- 304.08902 168.7
[M+NH4]+ 323.13012 181.3
[M+K]+ 344.05946 173.4
[M+H-H2O]+ 288.09356 156.7
[M+HCOO]- 350.09450 189.5
[M+CH3COO]- 364.11015 209.6
[M+Na-2H]- 326.07097 167.1
[M]+ 305.09575 176.1
[M]- 305.09685 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.