CID 45050946

853312-15-9

Structural Information

Molecular Formula
C16H12N2O2
SMILES
CCOC1=CC=CC=C1C2=CC=C(O2)C=C(C#N)C#N
InChI
InChI=1S/C16H12N2O2/c1-2-19-15-6-4-3-5-14(15)16-8-7-13(20-16)9-12(10-17)11-18/h3-9H,2H2,1H3
InChIKey
UVARBDBTFVFUTE-UHFFFAOYSA-N
Compound name
2-[[5-(2-ethoxyphenyl)furan-2-yl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 182.0
[M+Na]+ 287.07909 190.9
[M+NH4]+ 282.12369 182.2
[M+K]+ 303.05303 180.9
[M-H]- 263.08259 173.4
[M+Na-2H]- 285.06454 181.2
[M]+ 264.08932 179.6
[M]- 264.09042 179.6
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.