CID 3046474

62120-09-6

Structural Information

Molecular Formula
C6H6IN3O2
SMILES
C1=C(OC(=C1)I)C(=O)N=C(N)N
InChI
InChI=1S/C6H6IN3O2/c7-4-2-1-3(12-4)5(11)10-6(8)9/h1-2H,(H4,8,9,10,11)
InChIKey
NLPPSFIXSUTXAH-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-5-iodofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.95047 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.95775 153.2
[M+Na]+ 301.93969 153.1
[M+NH4]+ 296.98429 155.2
[M+K]+ 317.91363 154.7
[M-H]- 277.94319 149.2
[M+Na-2H]- 299.92514 143.2
[M]+ 278.94992 150.4
[M]- 278.95102 150.4
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.