CID 9574277

Medicon2 3-fura

Structural Information

Molecular Formula
C13H12N4O4
SMILES
C1=COC=C1/C=N/NC(=O)CC(=O)N/N=C/C2=COC=C2
InChI
InChI=1S/C13H12N4O4/c18-12(16-14-6-10-1-3-20-8-10)5-13(19)17-15-7-11-2-4-21-9-11/h1-4,6-9H,5H2,(H,16,18)(H,17,19)/b14-6+,15-7+
InChIKey
UNDOARKDHDFQPY-MKFXEVHTSA-N
Compound name
N,N'-bis[(E)-furan-3-ylmethylideneamino]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.08585 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09313 165.6
[M+Na]+ 311.07507 170.8
[M-H]- 287.07857 176.6
[M+NH4]+ 306.11967 181.2
[M+K]+ 327.04901 171.8
[M+H-H2O]+ 271.08311 157.0
[M+HCOO]- 333.08405 197.6
[M+CH3COO]- 347.09970 208.6
[M+Na-2H]- 309.06052 172.0
[M]+ 288.08530 170.3
[M]- 288.08640 170.3
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.