CID 13670218

96804-47-6

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₃

SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-11(14(18)19-4)10-16(15(2)3)13(17)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3

InChIKey

VXOJCSJTMLHQSQ-UHFFFAOYSA-N

Compound name

methyl 3-[benzoyl(dimethylamino)amino]-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 264.1474 Da
Monoisotopic Mass: 2.0
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	163.2
[M+Na]+	287.136618	166.8
[M-H]-	263.140124	169.0
[M+NH4]+	282.181223	180.0
[M+K]+	303.110558	168.5
[M+H-H2O]+	247.144660	155.4
[M+HCOO]-	309.145601	187.3
[M+CH3COO]-	323.161251	208.8
[M+Na-2H]-	285.122066	164.2
[M]+	264.14685142	166.8
[M]-	264.14794858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe