CID 3060321

Anthranilic acid, n-((diethylamino)acetyl)-, methyl ester, hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₃

SMILES

CCN(CC)CC(=O)NC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C14H20N2O3/c1-4-16(5-2)10-13(17)15-12-9-7-6-8-11(12)14(18)19-3/h6-9H,4-5,10H2,1-3H3,(H,15,17)

InChIKey

MPQKSPUVSGDOBQ-UHFFFAOYSA-N

Compound name

methyl 2-[[2-(diethylamino)acetyl]amino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.1474 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]+	265.154676	162.8
[M+Na]+	287.136618	167.4
[M-H]-	263.140124	167.4
[M+NH4]+	282.181223	179.4
[M+K]+	303.110558	167.1
[M+H-H2O]+	247.144660	155.2
[M+HCOO]-	309.145601	187.3
[M+CH3COO]-	323.161251	205.7
[M+Na-2H]-	285.122066	165.0
[M]+	264.14685142	166.1
[M]-	264.14794858	166.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.