CID 90269938

Schembl15860370

Structural Information

Molecular Formula
C15H20N2O8
SMILES
CC(C)C(=O)OCOC1=C(C=CN=C1C(=O)N[C@@H](CO)C(=O)O)OC
InChI
InChI=1S/C15H20N2O8/c1-8(2)15(22)25-7-24-12-10(23-3)4-5-16-11(12)13(19)17-9(6-18)14(20)21/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19)(H,20,21)/t9-/m0/s1
InChIKey
UXMRHNGCZQNYAM-VIFPVBQESA-N
Compound name
(2S)-3-hydroxy-2-[[4-methoxy-3-(2-methylpropanoyloxymethoxy)pyridine-2-carbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

356.12198 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12926 177.2
[M+Na]+ 379.11120 180.6
[M-H]- 355.11470 176.4
[M+NH4]+ 374.15580 186.3
[M+K]+ 395.08514 181.6
[M+H-H2O]+ 339.11924 169.1
[M+HCOO]- 401.12018 193.8
[M+CH3COO]- 415.13583 212.6
[M+Na-2H]- 377.09665 175.1
[M]+ 356.12143 182.1
[M]- 356.12253 182.1
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

patents stripe