CID 212317

N-(5-iodo-2-furoyl)urea

Structural Information

Molecular Formula
C6H5IN2O3
SMILES
C1=C(OC(=C1)I)C(=O)NC(=O)N
InChI
InChI=1S/C6H5IN2O3/c7-4-2-1-3(12-4)5(10)9-6(8)11/h1-2H,(H3,8,9,10,11)
InChIKey
ZIDCLROGEDNBLH-UHFFFAOYSA-N
Compound name
N-carbamoyl-5-iodofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.93448 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.94176 151.8
[M+Na]+ 302.92370 152.1
[M-H]- 278.92720 149.2
[M+NH4]+ 297.96830 166.4
[M+K]+ 318.89764 158.0
[M+H-H2O]+ 262.93174 142.0
[M+HCOO]- 324.93268 171.7
[M+CH3COO]- 338.94833 189.0
[M+Na-2H]- 300.90915 143.1
[M]+ 279.93393 148.4
[M]- 279.93503 148.4
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.