CID 57346932

Ynyjcxxotfzqbs-uhfffaoysa-m

Structural Information

Molecular Formula

C₁₂H₂₁N₂O₃PS

SMILES

CC(C)(C)C1=NC(=CC(=N1)OC)CCP(=S)(O)OC

InChI

InChI=1S/C12H21N2O3PS/c1-12(2,3)11-13-9(8-10(14-11)16-4)6-7-18(15,19)17-5/h8H,6-7H2,1-5H3,(H,15,19)

InChIKey

YNYJCXXOTFZQBS-UHFFFAOYSA-N

Compound name

2-(2-tert-butyl-6-methoxypyrimidin-4-yl)ethyl-hydroxy-methoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 304.10104 Da
Monoisotopic Mass: 2.9
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]+	305.108316	171.6
[M+Na]+	327.090258	179.0
[M-H]-	303.093764	170.4
[M+NH4]+	322.134863	184.9
[M+K]+	343.064198	176.2
[M+H-H2O]+	287.098300	162.3
[M+HCOO]-	349.099241	189.0
[M+CH3COO]-	363.114891	201.6
[M+Na-2H]-	325.075706	171.6
[M]+	304.10049142	177.8
[M]-	304.10158858	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.