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 213.7
[M+Na]+ 472.27416 212.2
[M-H]- 448.27766 217.3
[M+NH4]+ 467.31876 215.6
[M+K]+ 488.24810 213.2
[M+H-H2O]+ 432.28220 204.3
[M+HCOO]- 494.28314 220.7
[M+CH3COO]- 508.29879 246.9
[M+Na-2H]- 470.25961 249.8
[M]+ 449.28439 202.0
[M]- 449.28549 202.0
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.