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 175.2
[M+Na]+ 425.86956 183.6
[M-H]- 401.87306 185.3
[M+NH4]+ 420.91416 189.8
[M+K]+ 441.84350 170.0
[M+H-H2O]+ 385.87760 179.3
[M+HCOO]- 447.87854 193.2
[M+CH3COO]- 461.89419 219.0
[M+Na-2H]- 423.85501 178.1
[M]+ 402.87979 209.2
[M]- 402.88089 209.2
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.