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]+ 357.129256 177.2
[M+Na]+ 379.111198 180.6
[M-H]- 355.114704 176.4
[M+NH4]+ 374.155803 186.3
[M+K]+ 395.085138 181.6
[M+H-H2O]+ 339.119240 169.1
[M+HCOO]- 401.120181 193.8
[M+CH3COO]- 415.135831 212.6
[M+Na-2H]- 377.096646 175.1
[M]+ 356.12143142 182.1
[M]- 356.12252858 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