CID 23208

Benzoic acid, 3,4,5-trimethoxy-, ester with n,n-dimethylglycolamide

Structural Information

Molecular Formula

C₁₄H₁₉NO₆

SMILES

CN(C)C(=O)COC(=O)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C14H19NO6/c1-15(2)12(16)8-21-14(17)9-6-10(18-3)13(20-5)11(7-9)19-4/h6-7H,8H2,1-5H3

InChIKey

JTGXNCOSEVWXPT-UHFFFAOYSA-N

Compound name

[2-(dimethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 297.12125 Da
Monoisotopic Mass: 1.2
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]+	298.128526	164.3
[M+Na]+	320.110468	171.3
[M-H]-	296.113974	169.7
[M+NH4]+	315.155073	180.3
[M+K]+	336.084408	173.0
[M+H-H2O]+	280.118510	157.1
[M+HCOO]-	342.119451	188.5
[M+CH3COO]-	356.135101	209.5
[M+Na-2H]-	318.095916	165.4
[M]+	297.12070142	173.6
[M]-	297.12179858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe