CID 120352

Fc 366

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

CCCNC(=O)CNC1=CC=C(C=C1)OCC

InChI

InChI=1S/C13H20N2O2/c1-3-9-14-13(16)10-15-11-5-7-12(8-6-11)17-4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,14,16)

InChIKey

PQZQLDYGZRBFRM-UHFFFAOYSA-N

Compound name

2-(4-ethoxyanilino)-N-propylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.15248 Da
Monoisotopic Mass: 2.5
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]+	237.15976	155.6
[M+Na]+	259.14170	160.5
[M-H]-	235.14520	158.7
[M+NH4]+	254.18630	172.8
[M+K]+	275.11564	158.5
[M+H-H2O]+	219.14974	148.3
[M+HCOO]-	281.15068	180.6
[M+CH3COO]-	295.16633	197.8
[M+Na-2H]-	257.12715	160.3
[M]+	236.15193	157.3
[M]-	236.15303	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe