CID 330826

N,n'-difurfuryloxamide

Structural Information

Molecular Formula
C12H12N2O4
SMILES
C1=COC(=C1)CNC(=O)C(=O)NCC2=CC=CO2
InChI
InChI=1S/C12H12N2O4/c15-11(13-7-9-3-1-5-17-9)12(16)14-8-10-4-2-6-18-10/h1-6H,7-8H2,(H,13,15)(H,14,16)
InChIKey
XRURWFXKCKASSN-UHFFFAOYSA-N
Compound name
N,N'-bis(furan-2-ylmethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

248.07971 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 155.3
[M+Na]+ 271.06893 161.5
[M-H]- 247.07243 163.8
[M+NH4]+ 266.11353 172.2
[M+K]+ 287.04287 162.2
[M+H-H2O]+ 231.07697 148.6
[M+HCOO]- 293.07791 182.5
[M+CH3COO]- 307.09356 192.5
[M+Na-2H]- 269.05438 160.5
[M]+ 248.07916 159.1
[M]- 248.08026 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe