CID 99802

73805-83-1

Structural Information

Molecular Formula

C₁₈H₂₀NO₄PS

SMILES

C1CSC(=O)C1NP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20NO4PS/c20-18-17(11-12-25-18)19-24(21,22-13-15-7-3-1-4-8-15)23-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,19,21)

InChIKey

HJZKRKJNSYCZJW-UHFFFAOYSA-N

Compound name

3-[bis(phenylmethoxy)phosphorylamino]thiolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 377.08505 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]+	378.092326	183.5
[M+Na]+	400.074268	187.3
[M-H]-	376.077774	191.2
[M+NH4]+	395.118873	196.9
[M+K]+	416.048208	183.7
[M+H-H2O]+	360.082310	172.7
[M+HCOO]-	422.083251	206.9
[M+CH3COO]-	436.098901	214.1
[M+Na-2H]-	398.059716	182.5
[M]+	377.08450142	185.6
[M]-	377.08559858	185.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe