CID 205083

Benzoic acid, 2,4'-iminodi-, 4'-methyl ester

Structural Information

Molecular Formula
C15H13NO4
SMILES
COC(=O)C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H13NO4/c1-20-15(19)10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14(17)18/h2-9,16H,1H3,(H,17,18)
InChIKey
AMWRZEUIGAKQDL-UHFFFAOYSA-N
Compound name
2-(4-methoxycarbonylanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08447 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.091746 159.3
[M+Na]+ 294.073688 165.7
[M-H]- 270.077194 165.0
[M+NH4]+ 289.118293 174.2
[M+K]+ 310.047628 163.0
[M+H-H2O]+ 254.081730 151.6
[M+HCOO]- 316.082671 182.1
[M+CH3COO]- 330.098321 197.6
[M+Na-2H]- 292.059136 163.0
[M]+ 271.08392142 159.9
[M]- 271.08501858 159.9
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.