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]+ 222.066186 162.4
[M+Na]+ 244.048128 173.4
[M-H]- 220.051634 167.8
[M+NH4]+ 239.092733 174.5
[M+K]+ 260.022068 168.3
[M+H-H2O]+ 204.056170 145.6
[M+HCOO]- 266.057111 177.0
[M+CH3COO]- 280.072761 220.8
[M+Na-2H]- 242.033576 164.5
[M]+ 221.05836142 155.4
[M]- 221.05945858 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.