CID 201776

6804-98-4

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CCN(CC)C(=O)COC(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C14H19NO4/c1-4-15(5-2)13(16)10-19-14(17)11-8-6-7-9-12(11)18-3/h6-9H,4-5,10H2,1-3H3

InChIKey

SEPWMHLKOLXHFG-UHFFFAOYSA-N

Compound name

[2-(diethylamino)-2-oxoethyl] 2-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 265.1314 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]+	266.13868	161.2
[M+Na]+	288.12062	166.6
[M-H]-	264.12412	165.8
[M+NH4]+	283.16522	178.0
[M+K]+	304.09456	166.9
[M+H-H2O]+	248.12866	153.8
[M+HCOO]-	310.12960	184.9
[M+CH3COO]-	324.14525	202.7
[M+Na-2H]-	286.10607	163.2
[M]+	265.13085	166.7
[M]-	265.13195	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe