CID 505912

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

Structural Information

Molecular Formula
C15H24N2O5
SMILES
CC(=C)C1=C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C2CC2)N
InChI
InChI=1S/C15H24N2O5/c1-7(2)11-5-9(16)12(17-15(21)8-3-4-8)14(22-11)13(20)10(19)6-18/h5,8-10,12-14,18-20H,1,3-4,6,16H2,2H3,(H,17,21)/t9-,10+,12+,13+,14+/m0/s1
InChIKey
YEUZLKPUBBCPKP-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]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16852 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17580 165.9
[M+Na]+ 335.15774 169.9
[M-H]- 311.16124 169.1
[M+NH4]+ 330.20234 171.8
[M+K]+ 351.13168 166.9
[M+H-H2O]+ 295.16578 159.6
[M+HCOO]- 357.16672 179.6
[M+CH3COO]- 371.18237 209.7
[M+Na-2H]- 333.14319 163.0
[M]+ 312.16797 164.3
[M]- 312.16907 164.3
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.