CID 60846698

2-amino-n-[(benzylcarbamoyl)methyl]acetamide hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₂

SMILES

C1=CC=C(C=C1)CNC(=O)CNC(=O)CN

InChI

InChI=1S/C11H15N3O2/c12-6-10(15)14-8-11(16)13-7-9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,16)(H,14,15)

InChIKey

RMLANVRSNGOOGK-UHFFFAOYSA-N

Compound name

2-amino-N-[2-(benzylamino)-2-oxoethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.11642 Da
Monoisotopic Mass: -0.5
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]+	222.123696	149.8
[M+Na]+	244.105638	153.8
[M-H]-	220.109144	152.5
[M+NH4]+	239.150243	166.5
[M+K]+	260.079578	151.9
[M+H-H2O]+	204.113680	142.3
[M+HCOO]-	266.114621	175.0
[M+CH3COO]-	280.130271	194.5
[M+Na-2H]-	242.091086	154.3
[M]+	221.11587142	147.1
[M]-	221.11696858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe