CID 172818

71519-94-3

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₄

SMILES

CCOC(=O)CC(C)NC1=C(C=CC(=C1)NC(=O)C)OC

InChI

InChI=1S/C15H22N2O4/c1-5-21-15(19)8-10(2)16-13-9-12(17-11(3)18)6-7-14(13)20-4/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,18)

InChIKey

RSQNACZIAAOUOS-UHFFFAOYSA-N

Compound name

ethyl 3-(5-acetamido-2-methoxyanilino)butanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 3
Patents: 294.15796 Da
Monoisotopic Mass: 2.2
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]+	295.16524	170.1
[M+Na]+	317.14718	178.1
[M+NH4]+	312.19178	174.9
[M+K]+	333.12112	174.2
[M-H]-	293.15068	170.5
[M+Na-2H]-	315.13263	172.9
[M]+	294.15741	170.8
[M]-	294.15851	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe