CID 188251

Jk 42

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₃

SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)C

InChI

InChI=1S/C13H18N2O3/c1-4-18-13(17)10-5-7-11(8-6-10)14-12(16)9-15(2)3/h5-8H,4,9H2,1-3H3,(H,14,16)

InChIKey

DWKRVJWRHNPLHC-UHFFFAOYSA-N

Compound name

ethyl 4-[[2-(dimethylamino)acetyl]amino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 29
Patents: 250.13174 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]+	251.13902	158.2
[M+Na]+	273.12096	163.2
[M-H]-	249.12446	162.9
[M+NH4]+	268.16556	175.3
[M+K]+	289.09490	163.1
[M+H-H2O]+	233.12900	150.7
[M+HCOO]-	295.12994	183.0
[M+CH3COO]-	309.14559	202.7
[M+Na-2H]-	271.10641	160.9
[M]+	250.13119	161.1
[M]-	250.13229	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe