CID 10889901

Desmethyl lacosamide

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₃

SMILES

CC(=O)N[C@H](CO)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C12H16N2O3/c1-9(16)14-11(8-15)12(17)13-7-10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3,(H,13,17)(H,14,16)/t11-/m1/s1

InChIKey

XRKSCJLQKGLSKU-LLVKDONJSA-N

Compound name

(2R)-2-acetamido-N-benzyl-3-hydroxypropanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 67
Patents: 236.11609 Da
Monoisotopic Mass: -0.3
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]+	237.12337	155.0
[M+Na]+	259.10531	162.8
[M+NH4]+	254.14991	160.6
[M+K]+	275.07925	158.9
[M-H]-	235.10881	155.4
[M+Na-2H]-	257.09076	158.9
[M]+	236.11554	155.6
[M]-	236.11664	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe