CID 3086191

D-glucosaminide

Structural Information

Molecular Formula
C18H35N3O13
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O)CO)CO)N)O)O)O
InChI
InChI=1S/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+/m1/s1
InChIKey
RQFQJYYMBWVMQG-IXDPLRRUSA-N
Compound name
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

9304
Patents

501.21698 Da
Monoisotopic Mass

-7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.22426 216.9
[M+Na]+ 524.20620 215.9
[M-H]- 500.20970 208.0
[M+NH4]+ 519.25080 216.1
[M+K]+ 540.18014 220.8
[M+H-H2O]+ 484.21424 210.1
[M+HCOO]- 546.21518 218.3
[M+CH3COO]- 560.23083 222.8
[M+Na-2H]- 522.19165 246.2
[M]+ 501.21643 218.8
[M]- 501.21753 218.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe