CID 59565

Win 2595

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃

SMILES

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)OC

InChI

InChI=1S/C14H22N2O3/c1-4-16(5-2)8-9-19-14(17)12-7-6-11(15)10-13(12)18-3/h6-7,10H,4-5,8-9,15H2,1-3H3

InChIKey

ROSATCHEBXNJDQ-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 4-amino-2-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 266.16306 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]+	267.170336	163.7
[M+Na]+	289.152278	169.1
[M-H]-	265.155784	168.0
[M+NH4]+	284.196883	180.3
[M+K]+	305.126218	168.6
[M+H-H2O]+	249.160320	156.1
[M+HCOO]-	311.161261	188.4
[M+CH3COO]-	325.176911	206.9
[M+Na-2H]-	287.137726	165.3
[M]+	266.16251142	167.8
[M]-	266.16360858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe