CID 204631

Brn 1334314

Structural Information

Molecular Formula
C18H37N5O10
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)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)N)O)N
InChI
InChI=1S/C18H37N5O10/c19-2-6-9(24)8(23)11(26)17(30-6)32-15-4(21)1-5(22)16(14(15)29)33-18-13(28)12(27)10(25)7(3-20)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
InChIKey
UNAQVTHWZOBENA-NOAMYHISSA-N
Compound name
(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4S,5S,6R)-4-amino-6-(aminomethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.25403 Da
Monoisotopic Mass

-7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.26131 215.1
[M+Na]+ 506.24325 214.9
[M+NH4]+ 501.28785 215.3
[M+K]+ 522.21719 215.9
[M-H]- 482.24675 207.4
[M+Na-2H]- 504.22870 231.0
[M]+ 483.25348 213.1
[M]- 483.25458 213.1
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.