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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 153.5
[M+Na]+ 271.06893 159.1
[M-H]- 247.07243 160.4
[M+NH4]+ 266.11353 171.6
[M+K]+ 287.04287 158.5
[M+H-H2O]+ 231.07697 147.3
[M+HCOO]- 293.07791 176.3
[M+CH3COO]- 307.09356 193.2
[M+Na-2H]- 269.05438 157.2
[M]+ 248.07916 150.9
[M]- 248.08026 150.9
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.