CID 209916

20744-51-8

Structural Information

Molecular Formula
C12H25N3O7
SMILES
C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O)N
InChI
InChI=1S/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-9(19)6(15)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2/t3-,4+,5+,6-,7+,8+,9+,10-,11-,12+/m0/s1
InChIKey
WPYNTQYMFOTKRF-OSDBSAJISA-N
Compound name
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

323.16925 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17653 173.0
[M+Na]+ 346.15847 176.0
[M+NH4]+ 341.20307 175.3
[M+K]+ 362.13241 177.2
[M-H]- 322.16197 173.6
[M+Na-2H]- 344.14392 169.0
[M]+ 323.16870 172.5
[M]- 323.16980 172.5
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

patents stripe