CID 68937

Propetamide

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₂

SMILES

CCCNC(=O)C(C)NC1=CC=C(C=C1)OCC

InChI

InChI=1S/C14H22N2O2/c1-4-10-15-14(17)11(3)16-12-6-8-13(9-7-12)18-5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H,15,17)

InChIKey

VVUMWAHNKOLVSN-UHFFFAOYSA-N

Compound name

2-(4-ethoxyanilino)-N-propylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3529
Patents: 250.16812 Da
Monoisotopic Mass: 2.9
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]+	251.17540	161.0
[M+Na]+	273.15734	165.1
[M-H]-	249.16084	164.0
[M+NH4]+	268.20194	177.5
[M+K]+	289.13128	163.4
[M+H-H2O]+	233.16538	153.6
[M+HCOO]-	295.16632	184.6
[M+CH3COO]-	309.18197	201.7
[M+Na-2H]-	271.14279	163.8
[M]+	250.16757	162.4
[M]-	250.16867	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe