CID 13670226

96804-16-9

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₅

SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-16(2)17(14(19)11-8-6-5-7-9-11)12(15(20)22-4)10-13(18)21-3/h5-9,12H,10H2,1-4H3

InChIKey

GSYFBKFCSMDHBF-UHFFFAOYSA-N

Compound name

dimethyl 2-[benzoyl(dimethylamino)amino]butanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 308.1372 Da
Monoisotopic Mass: 1.4
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]+	309.144476	171.6
[M+Na]+	331.126418	174.7
[M-H]-	307.129924	177.2
[M+NH4]+	326.171023	186.3
[M+K]+	347.100358	177.3
[M+H-H2O]+	291.134460	163.4
[M+HCOO]-	353.135401	194.9
[M+CH3COO]-	367.151051	215.4
[M+Na-2H]-	329.111866	171.1
[M]+	308.13665142	177.0
[M]-	308.13774858	177.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe