CID 3050355

4''-demethylgentamicin-c2

Structural Information

Molecular Formula
C19H39N5O7
SMILES
CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)O)NC)O)N)N)N)N
InChI
InChI=1S/C19H39N5O7/c1-7(20)12-4-3-8(21)18(29-12)30-16-9(22)5-10(23)17(15(16)27)31-19-14(26)13(24-2)11(25)6-28-19/h7-19,24-27H,3-6,20-23H2,1-2H3
InChIKey
JGGVZVHEMQUWFO-UHFFFAOYSA-N
Compound name
2-[4,6-diamino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.28494 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.29222 210.4
[M+Na]+ 472.27416 210.6
[M+NH4]+ 467.31876 211.7
[M+K]+ 488.24810 211.9
[M-H]- 448.27766 215.4
[M+Na-2H]- 470.25961 205.1
[M]+ 449.28439 210.6
[M]- 449.28549 210.6
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.