CID 10744668

102584-78-1

Structural Information

Molecular Formula
C20H38N4O12
SMILES
CC(=O)N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N
InChI
InChI=1S/C20H38N4O12/c1-5(26)24-7-2-6(22)17(35-19-13(29)10(23)11(27)9(4-25)34-19)16(32)18(7)36-20-15(31)14(30)12(28)8(3-21)33-20/h6-20,25,27-32H,2-4,21-23H2,1H3,(H,24,26)/t6-,7+,8-,9-,10+,11-,12-,13-,14+,15-,16-,17+,18-,19-,20-/m1/s1
InChIKey
BEYLUTLCODJVLG-ODWRYJTKSA-N
Compound name
N-[(1S,2R,3R,4S,5R)-5-amino-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.2486 Da
Monoisotopic Mass

-6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.25588 219.9
[M+Na]+ 549.23782 220.0
[M+NH4]+ 544.28242 220.2
[M+K]+ 565.21176 221.5
[M-H]- 525.24132 212.5
[M+Na-2H]- 547.22327 237.3
[M]+ 526.24805 218.1
[M]- 526.24915 218.1
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.