CID 131770049

Hydroxy-lacosamide

Structural Information

Molecular Formula
C13H18N2O5
SMILES
COC[C@H](C(=O)NCC1=CC=C(C=C1)O)NCC(=O)O
InChI
InChI=1S/C13H18N2O5/c1-20-8-11(14-7-12(17)18)13(19)15-6-9-2-4-10(16)5-3-9/h2-5,11,14,16H,6-8H2,1H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKey
RBFMZJMSICTYCA-LLVKDONJSA-N
Compound name
2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12158 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12886 164.7
[M+Na]+ 305.11080 171.0
[M+NH4]+ 300.15540 168.5
[M+K]+ 321.08474 168.7
[M-H]- 281.11430 163.5
[M+Na-2H]- 303.09625 166.6
[M]+ 282.12103 164.5
[M]- 282.12213 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.