CID 3046829

4'-ethoxy-3-propionylsalicylanilide

Structural Information

Molecular Formula

C₁₈H₁₉NO₄

SMILES

CCC(=O)C1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)OCC)O

InChI

InChI=1S/C18H19NO4/c1-3-16(20)14-6-5-7-15(17(14)21)18(22)19-12-8-10-13(11-9-12)23-4-2/h5-11,21H,3-4H2,1-2H3,(H,19,22)

InChIKey

JBCQIYZHQXRUPJ-UHFFFAOYSA-N

Compound name

N-(4-ethoxyphenyl)-2-hydroxy-3-propanoylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 313.1314 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.138676	172.9
[M+Na]+	336.120618	178.8
[M-H]-	312.124124	178.3
[M+NH4]+	331.165223	186.3
[M+K]+	352.094558	175.6
[M+H-H2O]+	296.128660	164.8
[M+HCOO]-	358.129601	194.6
[M+CH3COO]-	372.145251	207.9
[M+Na-2H]-	334.106066	174.2
[M]+	313.13085142	174.9
[M]-	313.13194858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe