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: 44
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]+	223.10773	149.9
[M+Na]+	245.08967	159.0
[M+NH4]+	240.13427	156.1
[M+K]+	261.06361	154.6
[M-H]-	221.09317	151.1
[M+Na-2H]-	243.07512	154.4
[M]+	222.09990	151.1
[M]-	222.10100	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe