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]+ 286.10738 164.0
[M+Na]+ 308.08932 169.9
[M-H]- 284.09282 169.4
[M+NH4]+ 303.13392 178.2
[M+K]+ 324.06326 167.0
[M+H-H2O]+ 268.09736 156.0
[M+HCOO]- 330.09830 186.4
[M+CH3COO]- 344.11395 200.6
[M+Na-2H]- 306.07477 167.1
[M]+ 285.09955 164.9
[M]- 285.10065 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.