CID 3073284

2''-amino-5,2''-dideoxydibekacin

Structural Information

Molecular Formula
C18H38N6O6
SMILES
C1C[C@H]([C@H](O[C@@H]1CN)O[C@H]2C[C@H]([C@@H](C[C@@H]2N)N)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)N)N
InChI
InChI=1S/C18H38N6O6/c19-5-7-1-2-8(20)17(27-7)28-11-4-12(10(22)3-9(11)21)29-18-15(24)14(23)16(26)13(6-25)30-18/h7-18,25-26H,1-6,19-24H2/t7-,8+,9-,10+,11-,12+,13+,14+,15+,16+,17+,18-/m0/s1
InChIKey
YKSZWVOPBJVIMF-WOKVEOECSA-N
Compound name
(2R,3S,4R,5R,6S)-4,5-diamino-6-[(1R,2R,4S,5S)-2,4-diamino-5-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxycyclohexyl]oxy-2-(hydroxymethyl)oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

434.28528 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.29256 209.4
[M+Na]+ 457.27450 208.7
[M-H]- 433.27800 213.4
[M+NH4]+ 452.31910 211.9
[M+K]+ 473.24844 208.6
[M+H-H2O]+ 417.28254 199.4
[M+HCOO]- 479.28348 218.7
[M+CH3COO]- 493.29913 247.3
[M+Na-2H]- 455.25995 245.9
[M]+ 434.28473 195.9
[M]- 434.28583 195.9
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