CID 57735

Dtxsid00905364

Structural Information

Molecular Formula

C₁₆H₂₆N₂O₃

SMILES

CCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N

InChI

InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(7-8-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3

InChIKey

IWDIDGOFDRADNJ-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 4-amino-3-propoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 294.19434 Da
Monoisotopic Mass: 2.7
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]+	295.201616	173.0
[M+Na]+	317.183558	177.5
[M-H]-	293.187064	176.8
[M+NH4]+	312.228163	188.4
[M+K]+	333.157498	176.5
[M+H-H2O]+	277.191600	164.9
[M+HCOO]-	339.192541	196.9
[M+CH3COO]-	353.208191	212.9
[M+Na-2H]-	315.169006	173.5
[M]+	294.19379142	177.8
[M]-	294.19488858	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe