CID 131866345

1159637-28-1

Structural Information

Molecular Formula
C24H41NO10
SMILES
CC12CC3CC(C1)(CC(C3)(C2)NC4[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)C
InChI
InChI=1S/C24H41NO10/c1-22-3-11-4-23(2,8-22)10-24(5-11,9-22)25-20-17(31)16(30)19(13(7-27)33-20)35-21-18(32)15(29)14(28)12(6-26)34-21/h11-21,25-32H,3-10H2,1-2H3/t11?,12-,13-,14-,15+,16-,17-,18-,19-,20?,21+,22?,23?,24?/m1/s1
InChIKey
IDHWSQNFOHZVMN-LLTBUSFYSA-N
Compound name
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-6-[(3,5-dimethyl-1-adamantyl)amino]-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

503.27304 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.28032 207.9
[M+Na]+ 526.26226 209.8
[M+NH4]+ 521.30686 215.9
[M+K]+ 542.23620 203.5
[M-H]- 502.26576 205.8
[M+Na-2H]- 524.24771 199.7
[M]+ 503.27249 207.3
[M]- 503.27359 207.3
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.