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]+ 283.128856 163.5
[M+Na]+ 305.110798 166.8
[M-H]- 281.114304 163.8
[M+NH4]+ 300.155403 176.7
[M+K]+ 321.084738 165.5
[M+H-H2O]+ 265.118840 156.1
[M+HCOO]- 327.119781 184.1
[M+CH3COO]- 341.135431 200.6
[M+Na-2H]- 303.096246 164.9
[M]+ 282.12103142 163.6
[M]- 282.12212858 163.6
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.