CID 131769969

Lacosamide-glucuronide

Structural Information

Molecular Formula
C18H24N2O10
SMILES
COC[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O
InChI
InChI=1S/C18H24N2O10/c1-28-8-10(15(24)19-7-9-5-3-2-4-6-9)20-18(27)30-17-13(23)11(21)12(22)14(29-17)16(25)26/h2-6,10-14,17,21-23H,7-8H2,1H3,(H,19,24)(H,20,27)(H,25,26)/t10-,11?,12?,13?,14?,17?/m1/s1
InChIKey
RODXXFMSBBSTDC-JMABVSALSA-N
Compound name
6-[[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

428.1431 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.15038 193.4
[M+Na]+ 451.13232 193.4
[M-H]- 427.13582 194.4
[M+NH4]+ 446.17692 197.5
[M+K]+ 467.10626 195.2
[M+H-H2O]+ 411.14036 184.7
[M+HCOO]- 473.14130 205.5
[M+CH3COO]- 487.15695 224.9
[M+Na-2H]- 449.11777 190.4
[M]+ 428.14255 192.8
[M]- 428.14365 192.8
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.