CID 79876

Propazone sodium

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CCCC1(C(=O)NC(=O)O1)CCC

InChI

InChI=1S/C9H15NO3/c1-3-5-9(6-4-2)7(11)10-8(12)13-9/h3-6H2,1-2H3,(H,10,11,12)

InChIKey

BVTOXVHDKWVNBF-UHFFFAOYSA-N

Compound name

5,5-dipropyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 185.1052 Da
Monoisotopic Mass: 1.9
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]+	186.11248	141.2
[M+Na]+	208.09442	150.4
[M+NH4]+	203.13902	148.8
[M+K]+	224.06836	145.9
[M-H]-	184.09792	141.2
[M+Na-2H]-	206.07987	144.2
[M]+	185.10465	142.3
[M]-	185.10575	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe