CID 34331

28789-74-4

Structural Information

Molecular Formula

C₁₅H₂₄NO₄PS

SMILES

CCOP(=S)(N(C)C(=O)OC1=CC=CC(=C1)C(C)C)OCC

InChI

InChI=1S/C15H24NO4PS/c1-6-18-21(22,19-7-2)16(5)15(17)20-14-10-8-9-13(11-14)12(3)4/h8-12H,6-7H2,1-5H3

InChIKey

HZHVLKKSOKWVNK-UHFFFAOYSA-N

Compound name

(3-propan-2-ylphenyl) N-diethoxyphosphinothioyl-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.11636 Da
Monoisotopic Mass: 4.7
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]+	346.123636	179.8
[M+Na]+	368.105578	184.1
[M-H]-	344.109084	183.1
[M+NH4]+	363.150183	194.5
[M+K]+	384.079518	183.5
[M+H-H2O]+	328.113620	170.0
[M+HCOO]-	390.114561	201.7
[M+CH3COO]-	404.130211	216.5
[M+Na-2H]-	366.091026	176.7
[M]+	345.11581142	188.4
[M]-	345.11690858	188.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.