CID 505913

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

Structural Information

Molecular Formula
C14H24N2O5
SMILES
CC(=C)C1=C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)N(C)C(=O)C)N
InChI
InChI=1S/C14H24N2O5/c1-7(2)11-5-9(15)12(16(4)8(3)18)14(21-11)13(20)10(19)6-17/h5,9-10,12-14,17,19-20H,1,6,15H2,2-4H3/t9-,10+,12+,13+,14+/m0/s1
InChIKey
AGAQOPWKHHVBQG-NRFQWKTPSA-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]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16852 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17580 173.6
[M+Na]+ 323.15774 176.1
[M-H]- 299.16124 174.1
[M+NH4]+ 318.20234 185.0
[M+K]+ 339.13168 176.8
[M+H-H2O]+ 283.16578 167.0
[M+HCOO]- 345.16672 187.4
[M+CH3COO]- 359.18237 209.1
[M+Na-2H]- 321.14319 168.6
[M]+ 300.16797 170.6
[M]- 300.16907 170.6
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.