CID 478060

5-o-[ethyl-2-(6-amino-6-deoxy-.alpha.-d-glycopyranosidyl)]neamine

Structural Information

Molecular Formula
C20H41N5O11
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)OCCO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)O)N
InChI
InChI=1S/C20H41N5O11/c21-4-8-12(27)14(29)10(25)19(34-8)36-17-7(24)3-6(23)11(26)18(17)32-1-2-33-20-16(31)15(30)13(28)9(5-22)35-20/h6-20,26-31H,1-5,21-25H2/t6-,7+,8-,9-,10-,11+,12-,13-,14-,15+,16-,17-,18-,19-,20+/m1/s1
InChIKey
ZSOSRAFHKNBDBY-BQLGZYBASA-N
Compound name
(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxyethoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

527.2803 Da
Monoisotopic Mass

-7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.28758 220.4
[M+Na]+ 550.26952 219.9
[M-H]- 526.27302 211.7
[M+NH4]+ 545.31412 219.9
[M+K]+ 566.24346 225.7
[M+H-H2O]+ 510.27756 210.7
[M+HCOO]- 572.27850 221.9
[M+CH3COO]- 586.29415 226.2
[M+Na-2H]- 548.25497 253.1
[M]+ 527.27975 226.5
[M]- 527.28085 226.5
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

No patent data available for this compound.