CID 56347

92168-70-2

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₃

SMILES

CCCCCOC1C(NC(=O)N1)OCCCCC

InChI

InChI=1S/C13H26N2O3/c1-3-5-7-9-17-11-12(15-13(16)14-11)18-10-8-6-4-2/h11-12H,3-10H2,1-2H3,(H2,14,15,16)

InChIKey

JYYOCQRVLDWLAH-UHFFFAOYSA-N

Compound name

4,5-dipentoxyimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 258.19434 Da
Monoisotopic Mass: 2.8
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]+	259.201616	164.6
[M+Na]+	281.183558	169.1
[M-H]-	257.187064	161.4
[M+NH4]+	276.228163	179.3
[M+K]+	297.157498	165.9
[M+H-H2O]+	241.191600	157.0
[M+HCOO]-	303.192541	180.7
[M+CH3COO]-	317.208191	191.9
[M+Na-2H]-	279.169006	163.9
[M]+	258.19379142	165.3
[M]-	258.19488858	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe