CID 5050983

5-((2-furylmethylene)amino)isophthalonitrile

Structural Information

Molecular Formula
C13H7N3O
SMILES
C1=COC(=C1)C=NC2=CC(=CC(=C2)C#N)C#N
InChI
InChI=1S/C13H7N3O/c14-7-10-4-11(8-15)6-12(5-10)16-9-13-2-1-3-17-13/h1-6,9H
InChIKey
WCXXVALIRSYZLT-UHFFFAOYSA-N
Compound name
5-(furan-2-ylmethylideneamino)benzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.05891 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06619 162.4
[M+Na]+ 244.04813 173.4
[M-H]- 220.05163 167.8
[M+NH4]+ 239.09273 174.5
[M+K]+ 260.02207 168.3
[M+H-H2O]+ 204.05617 145.6
[M+HCOO]- 266.05711 177.0
[M+CH3COO]- 280.07276 220.8
[M+Na-2H]- 242.03358 164.5
[M]+ 221.05836 155.4
[M]- 221.05946 155.4
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.