CID 206936

Kanamycin-6''-uronic acid

Structural Information

Molecular Formula
C18H34N4O12
SMILES
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)C(=O)O)O)N)O)N
InChI
InChI=1S/C18H34N4O12/c19-2-5-7(23)10(26)11(27)18(31-5)33-14-4(21)1-3(20)13(12(14)28)32-17-9(25)6(22)8(24)15(34-17)16(29)30/h3-15,17-18,23-28H,1-2,19-22H2,(H,29,30)
InChIKey
AUWKUJREYIBUBW-UHFFFAOYSA-N
Compound name
4-amino-6-[4,6-diamino-3-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

498.21732 Da
Monoisotopic Mass

-9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.22460 213.9
[M+Na]+ 521.20654 214.0
[M+NH4]+ 516.25114 214.2
[M+K]+ 537.18048 215.8
[M-H]- 497.21004 206.4
[M+Na-2H]- 519.19199 231.4
[M]+ 498.21677 212.0
[M]- 498.21787 212.0
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

No patent data available for this compound.