CID 767234

Ethyl 4-{(e)-[(4-ethoxyphenyl)methylidene]amino}benzoate

Structural Information

Molecular Formula
C18H19NO3
SMILES
CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C18H19NO3/c1-3-21-17-11-5-14(6-12-17)13-19-16-9-7-15(8-10-16)18(20)22-4-2/h5-13H,3-4H2,1-2H3
InChIKey
KHOXQZUPVCAJFD-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 169.9
[M+Na]+ 320.125718 176.4
[M-H]- 296.129224 177.7
[M+NH4]+ 315.170323 185.4
[M+K]+ 336.099658 173.5
[M+H-H2O]+ 280.133760 161.1
[M+HCOO]- 342.134701 195.5
[M+CH3COO]- 356.150351 207.8
[M+Na-2H]- 318.111166 174.0
[M]+ 297.13595142 174.3
[M]- 297.13704858 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

No patent data available for this compound.