CID 496309

Nsc685420

Structural Information

Molecular Formula
C17H28N2O6
SMILES
CC1CCC(C(C1)OC2=NN=C(O2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(C)C
InChI
InChI=1S/C17H28N2O6/c1-8(2)10-5-4-9(3)6-11(10)24-17-19-18-16(25-17)15-14(22)13(21)12(7-20)23-15/h8-15,20-22H,4-7H2,1-3H3/t9?,10?,11?,12-,13-,14-,15-/m1/s1
InChIKey
ZPCDVVXMXQKNCY-LEMRDBMDSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-oxadiazol-2-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.19473 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20201 184.9
[M+Na]+ 379.18395 189.2
[M-H]- 355.18745 189.5
[M+NH4]+ 374.22855 194.0
[M+K]+ 395.15789 188.7
[M+H-H2O]+ 339.19199 178.3
[M+HCOO]- 401.19293 195.0
[M+CH3COO]- 415.20858 208.7
[M+Na-2H]- 377.16940 178.9
[M]+ 356.19418 184.3
[M]- 356.19528 184.3
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.