CID 202855

(5-oxo-2-phenyltetrahydro-2-furoyl)urea

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₄

SMILES

C1CC(OC1=O)(C2=CC=CC=C2)C(=O)NC(=O)N

InChI

InChI=1S/C12H12N2O4/c13-11(17)14-10(16)12(7-6-9(15)18-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,13,14,16,17)

InChIKey

DNZORMUGMFGHCY-UHFFFAOYSA-N

Compound name

N-carbamoyl-5-oxo-2-phenyloxolane-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.07971 Da
Monoisotopic Mass: 0.8
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]+	249.086986	153.5
[M+Na]+	271.068928	159.1
[M-H]-	247.072434	160.4
[M+NH4]+	266.113533	171.6
[M+K]+	287.042868	158.5
[M+H-H2O]+	231.076970	147.3
[M+HCOO]-	293.077911	176.3
[M+CH3COO]-	307.093561	193.2
[M+Na-2H]-	269.054376	157.2
[M]+	248.07916142	150.9
[M]-	248.08025858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.