CID 3046859

5-deoxykanamycin

Structural Information

Molecular Formula
C18H36N4O10
SMILES
C1C(C(CC(C1N)OC2C(C(C(C(O2)CN)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N
InChI
InChI=1S/C18H36N4O10/c19-3-9-13(25)15(27)16(28)18(31-9)30-8-2-7(5(20)1-6(8)21)29-17-14(26)11(22)12(24)10(4-23)32-17/h5-18,23-28H,1-4,19-22H2
InChIKey
UNUQXLJLWDXYIS-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-6-[2,4-diamino-5-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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

No literature data available for this compound.

Patent stripe

patents stripe