CID 163090

3'-deoxykanamycin c

Structural Information

Molecular Formula
C18H36N4O10
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[C@@H]3[C@@H](C[C@@H]([C@H](O3)CO)O)N)N
InChI
InChI=1S/C18H36N4O10/c19-5-1-6(20)16(32-18-13(27)11(22)12(26)10(4-24)30-18)14(28)15(5)31-17-7(21)2-8(25)9(3-23)29-17/h5-18,23-28H,1-4,19-22H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey
IDSYVBBNVYBBAF-PBSUHMDJSA-N
Compound name
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

36
Patents

468.24313 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.25041 213.3
[M+Na]+ 491.23235 213.0
[M+NH4]+ 486.27695 213.0
[M+K]+ 507.20629 214.4
[M-H]- 467.23585 205.2
[M+Na-2H]- 489.21780 228.8
[M]+ 468.24258 210.8
[M]- 468.24368 210.8
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

patents stripe