CID 205078

4'-ethyl 2,4'-iminodibenzoate

Structural Information

Molecular Formula
C16H15NO4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H15NO4/c1-2-21-16(20)11-7-9-12(10-8-11)17-14-6-4-3-5-13(14)15(18)19/h3-10,17H,2H2,1H3,(H,18,19)
InChIKey
JRZXEBZNOVKDHT-UHFFFAOYSA-N
Compound name
2-(4-ethoxycarbonylanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1001 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.107376 164.0
[M+Na]+ 308.089318 169.9
[M-H]- 284.092824 169.4
[M+NH4]+ 303.133923 178.2
[M+K]+ 324.063258 167.0
[M+H-H2O]+ 268.097360 156.0
[M+HCOO]- 330.098301 186.4
[M+CH3COO]- 344.113951 200.6
[M+Na-2H]- 306.074766 167.1
[M]+ 285.09955142 164.9
[M]- 285.10064858 164.9
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

No patent data available for this compound.