CID 90598

4-((4-ethoxybenzylidene)amino)benzonitrile

Structural Information

Molecular Formula
C16H14N2O
SMILES
CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H14N2O/c1-2-19-16-9-5-14(6-10-16)12-18-15-7-3-13(11-17)4-8-15/h3-10,12H,2H2,1H3
InChIKey
YFZISFITJTVAET-UHFFFAOYSA-N
Compound name
4-[(4-ethoxyphenyl)methylideneamino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

108
Patents

250.11061 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 160.7
[M+Na]+ 273.09983 170.6
[M-H]- 249.10333 167.1
[M+NH4]+ 268.14443 176.3
[M+K]+ 289.07377 165.0
[M+H-H2O]+ 233.10787 146.2
[M+HCOO]- 295.10881 183.1
[M+CH3COO]- 309.12446 209.8
[M+Na-2H]- 271.08528 166.0
[M]+ 250.11006 157.4
[M]- 250.11116 157.4
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