CID 129320283

N-[(3r)-6-(5,6-dihydropyridin-2-yl)-7-hydroxy-8-[(2e)-1-hydroxybut-2-en-1-yl]-2-oxo-1,5-oxathiocan-3-yl]acetamide

Structural Information

Molecular Formula
C17H24N2O5S
SMILES
C/C=C/C(C1C(C(SC[C@@H](C(=O)O1)NC(=O)C)C2=NCCC=C2)O)O
InChI
InChI=1S/C17H24N2O5S/c1-3-6-13(21)15-14(22)16(11-7-4-5-8-18-11)25-9-12(17(23)24-15)19-10(2)20/h3-4,6-7,12-16,21-22H,5,8-9H2,1-2H3,(H,19,20)/b6-3+/t12-,13?,14?,15?,16?/m0/s1
InChIKey
GEYMJOTVBFUPPZ-IFDKKLSGSA-N
Compound name
N-[(3R)-6-(2,3-dihydropyridin-6-yl)-7-hydroxy-8-[(E)-1-hydroxybut-2-enyl]-2-oxo-1,5-oxathiocan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

368.1406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14788 166.7
[M+Na]+ 391.12982 168.9
[M+NH4]+ 386.17442 168.0
[M+K]+ 407.10376 168.2
[M-H]- 367.13332 167.2
[M+Na-2H]- 389.11527 167.6
[M]+ 368.14005 167.0
[M]- 368.14115 167.0
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.