CID 219078

Lacosamide

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
InChIKey
VPPJLAIAVCUEMN-GFCCVEGCSA-N
Compound name
(2R)-2-acetamido-N-benzyl-3-methoxypropanamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

901
References

8028
Patents

250.13174 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 158.9
[M+Na]+ 273.12096 162.5
[M-H]- 249.12446 161.8
[M+NH4]+ 268.16556 174.9
[M+K]+ 289.09490 161.5
[M+H-H2O]+ 233.12900 151.3
[M+HCOO]- 295.12994 182.2
[M+CH3COO]- 309.14559 198.9
[M+Na-2H]- 271.10641 161.7
[M]+ 250.13119 159.5
[M]- 250.13229 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe