CID 505906

N-[(2r,3r,4s)-4-amino-6-isopropenyl-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-3-yl]acetamide

Structural Information

Molecular Formula
C13H22N2O5
SMILES
CC(=C)C1=C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)N
InChI
InChI=1S/C13H22N2O5/c1-6(2)10-4-8(14)11(15-7(3)17)13(20-10)12(19)9(18)5-16/h4,8-9,11-13,16,18-19H,1,5,14H2,2-3H3,(H,15,17)/t8-,9+,11+,12+,13+/m0/s1
InChIKey
DQLKHOFJHNPXQM-IINAIABHSA-N
Compound name
N-[(2R,3R,4S)-4-amino-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.15286 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16014 169.7
[M+Na]+ 309.14208 172.3
[M-H]- 285.14558 168.9
[M+NH4]+ 304.18668 180.9
[M+K]+ 325.11602 171.8
[M+H-H2O]+ 269.15012 163.2
[M+HCOO]- 331.15106 183.2
[M+CH3COO]- 345.16671 203.0
[M+Na-2H]- 307.12753 165.7
[M]+ 286.15231 165.0
[M]- 286.15341 165.0
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.