CID 439582

Kanamycin c

Structural Information

Molecular Formula
C18H36N4O11
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@H]([C@@H]([C@H](O3)CO)O)O)N)N
InChI
InChI=1S/C18H36N4O11/c19-4-1-5(20)16(33-18-13(28)8(21)10(25)6(2-23)31-18)14(29)15(4)32-17-9(22)12(27)11(26)7(3-24)30-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey
WZDRWYJKESFZMB-FQSMHNGLSA-N
Compound name
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

365
Patents

484.23807 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.24535 211.5
[M+Na]+ 507.22729 211.5
[M-H]- 483.23079 202.8
[M+NH4]+ 502.27189 211.1
[M+K]+ 523.20123 216.3
[M+H-H2O]+ 467.23533 202.2
[M+HCOO]- 529.23627 213.4
[M+CH3COO]- 543.25192 217.9
[M+Na-2H]- 505.21274 242.5
[M]+ 484.23752 216.3
[M]- 484.23862 216.3
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