CID 60807

Glycovir

Structural Information

Molecular Formula
C26H45NO8
SMILES
CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1COC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
InChI
InChI=1S/C26H45NO8/c1-6-11-16-27-17-20(33-22(29)13-8-3)26(35-24(31)15-10-5)25(34-23(30)14-9-4)19(27)18-32-21(28)12-7-2/h19-20,25-26H,6-18H2,1-5H3/t19-,20+,25-,26-/m1/s1
InChIKey
MKGDNVHZSCXBKR-KYVQNOJUSA-N
Compound name
[(2R,3R,4R,5S)-3,4,5-tri(butanoyloxy)-1-butylpiperidin-2-yl]methyl butanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

72
Patents

499.3145 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.32178 221.1
[M+Na]+ 522.30372 235.8
[M+NH4]+ 517.34832 238.0
[M+K]+ 538.27766 234.0
[M-H]- 498.30722 229.5
[M+Na-2H]- 520.28917 216.5
[M]+ 499.31395 234.3
[M]- 499.31505 234.3
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