CID 3050376

4''-demethylgentamicin-c1

Structural Information

Molecular Formula
C20H41N5O7
SMILES
CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)O)NC)O)N)N)N)NC
InChI
InChI=1S/C20H41N5O7/c1-8(24-2)13-5-4-9(21)19(30-13)31-17-10(22)6-11(23)18(16(17)28)32-20-15(27)14(25-3)12(26)7-29-20/h8-20,24-28H,4-7,21-23H2,1-3H3
InChIKey
OEEYBJFUFKFHDR-UHFFFAOYSA-N
Compound name
2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]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

463.3006 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.30788 214.5
[M+Na]+ 486.28982 214.8
[M+NH4]+ 481.33442 215.8
[M+K]+ 502.26376 215.6
[M-H]- 462.29332 219.6
[M+Na-2H]- 484.27527 209.4
[M]+ 463.30005 214.8
[M]- 463.30115 214.8
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

No patent data available for this compound.