CID 137321783

5-bromo-n-[n-(5-bromofuran-2-carbonyl)carbamimidoyl]furan-2-carboxamide

Structural Information

Molecular Formula
C11H7Br2N3O4
SMILES
C1=C(OC(=C1)Br)C(=O)NC(=N)NC(=O)C2=CC=C(O2)Br
InChI
InChI=1S/C11H7Br2N3O4/c12-7-3-1-5(19-7)9(17)15-11(14)16-10(18)6-2-4-8(13)20-6/h1-4H,(H3,14,15,16,17,18)
InChIKey
LKAFVFNHRWUAFA-UHFFFAOYSA-N
Compound name
5-bromo-N-[N-(5-bromofuran-2-carbonyl)carbamimidoyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.88034 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.88762 181.6
[M+Na]+ 425.86956 173.8
[M+NH4]+ 420.91416 181.2
[M+K]+ 441.84350 183.1
[M-H]- 401.87306 183.2
[M+Na-2H]- 423.85501 179.8
[M]+ 402.87979 179.5
[M]- 402.88089 179.5
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.