CID 105215

Ethyl 4-[[(ethylphenylamino)methylene]amino]benzoate

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCN(C=NC1=CC=C(C=C1)C(=O)OCC)C2=CC=CC=C2
InChI
InChI=1S/C18H20N2O2/c1-3-20(17-8-6-5-7-9-17)14-19-16-12-10-15(11-13-16)18(21)22-4-2/h5-14H,3-4H2,1-2H3
InChIKey
LTGPEBRDBMFYBR-UHFFFAOYSA-N
Compound name
ethyl 4-[(N-ethylanilino)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

179
Patents

296.15247 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 171.2
[M+Na]+ 319.14169 176.0
[M-H]- 295.14519 180.0
[M+NH4]+ 314.18629 186.7
[M+K]+ 335.11563 173.9
[M+H-H2O]+ 279.14973 161.8
[M+HCOO]- 341.15067 198.0
[M+CH3COO]- 355.16632 212.9
[M+Na-2H]- 317.12714 175.5
[M]+ 296.15192 174.3
[M]- 296.15302 174.3
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