CID 10094241

2-amino-n-(quinolin-8-yl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

C1=CC2=C(C(=C1)NC(=O)CN)N=CC=C2

InChI

InChI=1S/C11H11N3O/c12-7-10(15)14-9-5-1-3-8-4-2-6-13-11(8)9/h1-6H,7,12H2,(H,14,15)

InChIKey

RBKYJYFSMHPAFS-UHFFFAOYSA-N

Compound name

2-amino-N-quinolin-8-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 201.09021 Da
Monoisotopic Mass: 1.0
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]+	202.097486	141.6
[M+Na]+	224.079428	148.9
[M-H]-	200.082934	144.4
[M+NH4]+	219.124033	159.6
[M+K]+	240.053368	145.5
[M+H-H2O]+	184.087470	134.2
[M+HCOO]-	246.088411	165.0
[M+CH3COO]-	260.104061	189.1
[M+Na-2H]-	222.064876	150.1
[M]+	201.08966142	139.5
[M]-	201.09075858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe