CID 3064581

Phosglycin

Structural Information

Molecular Formula

C₁₄H₃₁N₂O₃PS

SMILES

CCCN(CCC)C(=O)CN(CC)P(=S)(OCC)OCC

InChI

InChI=1S/C14H31N2O3PS/c1-6-11-15(12-7-2)14(17)13-16(8-3)20(21,18-9-4)19-10-5/h6-13H2,1-5H3

InChIKey

CGNIOVDMKMGGSL-UHFFFAOYSA-N

Compound name

2-[diethoxyphosphinothioyl(ethyl)amino]-N,N-dipropylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1365
Patents: 338.1793 Da
Monoisotopic Mass: 3.8
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]+	339.186576	184.0
[M+Na]+	361.168518	186.2
[M-H]-	337.172024	184.7
[M+NH4]+	356.213123	199.4
[M+K]+	377.142458	186.4
[M+H-H2O]+	321.176560	174.0
[M+HCOO]-	383.177501	206.7
[M+CH3COO]-	397.193151	223.1
[M+Na-2H]-	359.153966	179.9
[M]+	338.17875142	194.2
[M]-	338.17984858	194.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe