CID 4106198

3-ethoxybenzaldehyde azine

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCOC1=CC=CC(=C1)C=NN=CC2=CC(=CC=C2)OCC
InChI
InChI=1S/C18H20N2O2/c1-3-21-17-9-5-7-15(11-17)13-19-20-14-16-8-6-10-18(12-16)22-4-2/h5-14H,3-4H2,1-2H3
InChIKey
NKMUBYOEMHBPBN-UHFFFAOYSA-N
Compound name
1-(3-ethoxyphenyl)-N-[(3-ethoxyphenyl)methylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.15247 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 169.9
[M+Na]+ 319.14169 176.4
[M-H]- 295.14519 179.0
[M+NH4]+ 314.18629 185.9
[M+K]+ 335.11563 173.1
[M+H-H2O]+ 279.14973 160.5
[M+HCOO]- 341.15067 198.8
[M+CH3COO]- 355.16632 212.4
[M+Na-2H]- 317.12714 176.0
[M]+ 296.15192 174.7
[M]- 296.15302 174.7
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

patents stripe