CID 15954681

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

Structural Information

Molecular Formula
C21H19NO4
SMILES
CCOC(C(=O)C1=CC=CC2=CC=CC=C21)NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C21H19NO4/c1-2-26-20(22-16-12-10-15(11-13-16)21(24)25)19(23)18-9-5-7-14-6-3-4-8-17(14)18/h3-13,20,22H,2H2,1H3,(H,24,25)
InChIKey
SULFBWKQYIQETD-UHFFFAOYSA-N
Compound name
4-[(1-ethoxy-2-naphthalen-1-yl-2-oxoethyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

349.1314 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 181.2
[M+Na]+ 372.12062 185.6
[M-H]- 348.12412 186.8
[M+NH4]+ 367.16522 193.3
[M+K]+ 388.09456 181.8
[M+H-H2O]+ 332.12866 172.4
[M+HCOO]- 394.12960 200.4
[M+CH3COO]- 408.14525 215.0
[M+Na-2H]- 370.10607 183.9
[M]+ 349.13085 182.0
[M]- 349.13195 182.0
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

patents stripe