CID 9884722

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

Structural Information

Molecular Formula
C21H19NO4
SMILES
CCOC(C(=O)C1=CC2=CC=CC=C2C=C1)NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C21H19NO4/c1-2-26-20(22-18-11-9-15(10-12-18)21(24)25)19(23)17-8-7-14-5-3-4-6-16(14)13-17/h3-13,20,22H,2H2,1H3,(H,24,25)
InChIKey
SLKAGWATRMEQLY-UHFFFAOYSA-N
Compound name
4-[(1-ethoxy-2-naphthalen-2-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]+ 350.138676 181.2
[M+Na]+ 372.120618 185.6
[M-H]- 348.124124 186.8
[M+NH4]+ 367.165223 193.3
[M+K]+ 388.094558 181.8
[M+H-H2O]+ 332.128660 172.4
[M+HCOO]- 394.129601 200.4
[M+CH3COO]- 408.145251 215.0
[M+Na-2H]- 370.106066 183.9
[M]+ 349.13085142 182.0
[M]- 349.13194858 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