CID 137321782

5-methyl-n-[n-(5-methylfuran-2-carbonyl)carbamimidoyl]furan-2-carboxamide

Structural Information

Molecular Formula
C13H13N3O4
SMILES
CC1=CC=C(O1)C(=O)NC(=N)NC(=O)C2=CC=C(O2)C
InChI
InChI=1S/C13H13N3O4/c1-7-3-5-9(19-7)11(17)15-13(14)16-12(18)10-6-4-8(2)20-10/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKey
UZWIQYKQKDQLHT-UHFFFAOYSA-N
Compound name
5-methyl-N-[N-(5-methylfuran-2-carbonyl)carbamimidoyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09788 165.4
[M+Na]+ 298.07982 172.0
[M-H]- 274.08332 174.7
[M+NH4]+ 293.12442 181.2
[M+K]+ 314.05376 172.4
[M+H-H2O]+ 258.08786 158.5
[M+HCOO]- 320.08880 192.3
[M+CH3COO]- 334.10445 202.9
[M+Na-2H]- 296.06527 167.8
[M]+ 275.09005 168.2
[M]- 275.09115 168.2
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.