CID 3075384

178563-29-6

Structural Information

Molecular Formula
C22H37NO10
SMILES
C1C2CC3CC1CC(C2)C3N[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI
InChI=1S/C22H37NO10/c24-6-12-15(26)16(27)19(30)22(32-12)33-20-13(7-25)31-21(18(29)17(20)28)23-14-10-2-8-1-9(4-10)5-11(14)3-8/h8-30H,1-7H2/t8?,9?,10?,11?,12-,13-,14?,15-,16+,17-,18+,19-,20-,21-,22+/m1/s1
InChIKey
DMUIWVYYEDVXRR-OCXOTAFCSA-N
Compound name
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-6-(2-adamantylamino)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.24176 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.24904 204.3
[M+Na]+ 498.23098 199.9
[M-H]- 474.23448 196.5
[M+NH4]+ 493.27558 209.7
[M+K]+ 514.20492 201.4
[M+H-H2O]+ 458.23902 197.6
[M+HCOO]- 520.23996 192.1
[M+CH3COO]- 534.25561 204.4
[M+Na-2H]- 496.21643 222.6
[M]+ 475.24121 201.3
[M]- 475.24231 201.3
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.