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]+ 265.097146 171.1
[M+Na]+ 287.079088 181.5
[M-H]- 263.082594 175.6
[M+NH4]+ 282.123693 182.0
[M+K]+ 303.053028 176.0
[M+H-H2O]+ 247.087130 154.5
[M+HCOO]- 309.088071 183.2
[M+CH3COO]- 323.103721 223.6
[M+Na-2H]- 285.064536 171.0
[M]+ 264.08932142 164.6
[M]- 264.09041858 164.6
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.