CID 56560

93142-90-6

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₃

SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-4-6-11-17-12(3)15(19)18-14-9-7-13(8-10-14)16(20)21-5-2/h7-10,12,17H,4-6,11H2,1-3H3,(H,18,19)

InChIKey

FRPALAJMOMSFOK-UHFFFAOYSA-N

Compound name

ethyl 4-[2-(butylamino)propanoylamino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 292.17868 Da
Monoisotopic Mass: 2.6
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]+	293.185956	172.4
[M+Na]+	315.167898	175.6
[M-H]-	291.171404	175.1
[M+NH4]+	310.212503	187.0
[M+K]+	331.141838	174.0
[M+H-H2O]+	275.175940	164.5
[M+HCOO]-	337.176881	194.7
[M+CH3COO]-	351.192531	209.2
[M+Na-2H]-	313.153346	172.9
[M]+	292.17813142	174.4
[M]-	292.17922858	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe