CID 202846

(5-oxo-2-phenyltetrahydro-3-furoyl)urea

Structural Information

Molecular Formula
C12H12N2O4
SMILES
C1C(C(OC1=O)C2=CC=CC=C2)C(=O)NC(=O)N
InChI
InChI=1S/C12H12N2O4/c13-12(17)14-11(16)8-6-9(15)18-10(8)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H3,13,14,16,17)
InChIKey
HSJUDQYKYYCLDB-UHFFFAOYSA-N
Compound name
N-carbamoyl-5-oxo-2-phenyloxolane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07971 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.086986 154.1
[M+Na]+ 271.068928 159.7
[M-H]- 247.072434 161.1
[M+NH4]+ 266.113533 170.5
[M+K]+ 287.042868 158.8
[M+H-H2O]+ 231.076970 147.2
[M+HCOO]- 293.077911 177.0
[M+CH3COO]- 307.093561 194.9
[M+Na-2H]- 269.054376 155.8
[M]+ 248.07916142 151.6
[M]- 248.08025858 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.