CID 168150

Glycylbenzocaine

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C11H14N2O3/c1-2-16-11(15)8-3-5-9(6-4-8)13-10(14)7-12/h3-6H,2,7,12H2,1H3,(H,13,14)

InChIKey

GUXAWDGROAAJBL-UHFFFAOYSA-N

Compound name

ethyl 4-[(2-aminoacetyl)amino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 130
Patents: 222.10045 Da
Monoisotopic Mass: 0.4
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]+	223.107726	149.4
[M+Na]+	245.089668	155.1
[M-H]-	221.093174	152.5
[M+NH4]+	240.134273	166.7
[M+K]+	261.063608	153.7
[M+H-H2O]+	205.097710	142.4
[M+HCOO]-	267.098651	173.7
[M+CH3COO]-	281.114301	192.6
[M+Na-2H]-	243.075116	152.8
[M]+	222.09990142	149.3
[M]-	222.10099858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe