CID 5272195

4-[[1-(4-carboxyanilino)-2-(1-naphthyl)-2-oxo-ethyl]amino]benzoic acid

Structural Information

Molecular Formula
C26H20N2O5
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C(NC3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C26H20N2O5/c29-23(22-7-3-5-16-4-1-2-6-21(16)22)24(27-19-12-8-17(9-13-19)25(30)31)28-20-14-10-18(11-15-20)26(32)33/h1-15,24,27-28H,(H,30,31)(H,32,33)
InChIKey
FLFIYYCIYIGVTD-UHFFFAOYSA-N
Compound name
4-[[1-(4-carboxyanilino)-2-naphthalen-1-yl-2-oxoethyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.1372 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.14448 200.9
[M+Na]+ 463.12642 203.1
[M-H]- 439.12992 208.0
[M+NH4]+ 458.17102 207.2
[M+K]+ 479.10036 198.9
[M+H-H2O]+ 423.13446 190.5
[M+HCOO]- 485.13540 218.2
[M+CH3COO]- 499.15105 233.2
[M+Na-2H]- 461.11187 202.3
[M]+ 440.13665 198.7
[M]- 440.13775 198.7
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.