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
3
Annotation Hits

0
References

243
Patents

296.15247 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.159746 171.2
[M+Na]+ 319.141688 176.0
[M-H]- 295.145194 180.0
[M+NH4]+ 314.186293 186.7
[M+K]+ 335.115628 173.9
[M+H-H2O]+ 279.149730 161.8
[M+HCOO]- 341.150671 198.0
[M+CH3COO]- 355.166321 212.9
[M+Na-2H]- 317.127136 175.5
[M]+ 296.15192142 174.3
[M]- 296.15301858 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