CID 505910

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

Structural Information

Molecular Formula
C14H24N2O5
SMILES
CCC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=C)C)N
InChI
InChI=1S/C14H24N2O5/c1-4-11(19)16-12-8(15)5-10(7(2)3)21-14(12)13(20)9(18)6-17/h5,8-9,12-14,17-18,20H,2,4,6,15H2,1,3H3,(H,16,19)/t8-,9+,12+,13+,14+/m0/s1
InChIKey
PVYZEAWRMSHANY-ZZEHVWSGSA-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]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16852 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17580 174.2
[M+Na]+ 323.15774 176.4
[M-H]- 299.16124 173.1
[M+NH4]+ 318.20234 184.9
[M+K]+ 339.13168 175.6
[M+H-H2O]+ 283.16578 167.5
[M+HCOO]- 345.16672 187.4
[M+CH3COO]- 359.18237 206.0
[M+Na-2H]- 321.14319 169.7
[M]+ 300.16797 169.8
[M]- 300.16907 169.8
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.