CID 3073283

2''-amino-2''-deoxydibekacin

Structural Information

Molecular Formula
C18H38N6O7
SMILES
C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)N)N)N)N
InChI
InChI=1S/C18H38N6O7/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-12(24)11(23)13(26)10(5-25)29-18/h6-18,25-27H,1-5,19-24H2/t6-,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey
AILUEIPMTGLUPY-JXHXODKCSA-N
Compound name
(2R,3S,4R,5R,6S)-4,5-diamino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

450.2802 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.28748 212.4
[M+Na]+ 473.26942 212.5
[M-H]- 449.27292 203.6
[M+NH4]+ 468.31402 212.4
[M+K]+ 489.24336 219.3
[M+H-H2O]+ 433.27746 201.6
[M+HCOO]- 495.27840 214.6
[M+CH3COO]- 509.29405 250.2
[M+Na-2H]- 471.25487 246.4
[M]+ 450.27965 223.5
[M]- 450.28075 223.5
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