CID 5270716

(2r)-2-amino-n-butyl-4-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]butanamide

Structural Information

Molecular Formula
C14H28N2O6
SMILES
CCCCNC(=O)[C@@H](CC[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N
InChI
InChI=1S/C14H28N2O6/c1-2-3-6-16-14(21)8(15)4-5-9-11(18)13(20)12(19)10(7-17)22-9/h8-13,17-20H,2-7,15H2,1H3,(H,16,21)/t8-,9+,10-,11+,12+,13-/m1/s1
InChIKey
HHCUFSNSXKTAHR-NMIFLECGSA-N
Compound name
(2R)-2-amino-N-butyl-4-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.19473 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20201 178.1
[M+Na]+ 343.18395 179.8
[M-H]- 319.18745 175.4
[M+NH4]+ 338.22855 187.6
[M+K]+ 359.15789 178.6
[M+H-H2O]+ 303.19199 171.3
[M+HCOO]- 365.19293 190.3
[M+CH3COO]- 379.20858 206.8
[M+Na-2H]- 341.16940 174.3
[M]+ 320.19418 174.4
[M]- 320.19528 174.4
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.