CID 714249

24386-17-2

Structural Information

Molecular Formula
C13H8N2O3
SMILES
C1=COC(=C1)C2=C(OC(=C2C#N)N)C3=CC=CO3
InChI
InChI=1S/C13H8N2O3/c14-7-8-11(9-3-1-5-16-9)12(18-13(8)15)10-4-2-6-17-10/h1-6H,15H2
InChIKey
RDQSOEAGWZLHBE-UHFFFAOYSA-N
Compound name
2-amino-4,5-bis(furan-2-yl)furan-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

240.0535 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.060776 152.5
[M+Na]+ 263.042718 165.5
[M-H]- 239.046224 162.3
[M+NH4]+ 258.087323 168.5
[M+K]+ 279.016658 163.1
[M+H-H2O]+ 223.050760 140.3
[M+HCOO]- 285.051701 175.6
[M+CH3COO]- 299.067351 165.8
[M+Na-2H]- 261.028166 155.5
[M]+ 240.05295142 152.3
[M]- 240.05404858 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe