CID 71695617

Validoxylamine b

Structural Information

Molecular Formula
C14H25NO9
SMILES
C1=C([C@H]([C@@H]([C@H](C1N[C@H]2[C@@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O)CO
InChI
InChI=1S/C14H25NO9/c16-2-4-1-6(11(21)13(23)8(4)18)15-7-9(19)5(3-17)10(20)14(24)12(7)22/h1,5-24H,2-3H2/t5-,6?,7-,8+,9+,10+,11-,12-,13-,14-/m0/s1
InChIKey
OTSKEODGNQKECL-HRBDKDTLSA-N
Compound name
(1S,2S,3R,4S,5R,6S)-4-(hydroxymethyl)-6-[[(4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexane-1,2,3,5-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

18
Patents

351.15292 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16020 177.2
[M+Na]+ 374.14214 181.0
[M+NH4]+ 369.18674 178.4
[M+K]+ 390.11608 182.4
[M-H]- 350.14564 173.8
[M+Na-2H]- 372.12759 172.8
[M]+ 351.15237 175.7
[M]- 351.15347 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.