CID 60807

Glycovir

Structural Information

Molecular Formula

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

3
Annotation Hits: 2
References: 72
Patents: 499.3145 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	500.32178	221.5
[M+Na]+	522.30372	236.0
[M-H]-	498.30722	225.1
[M+NH4]+	517.34832	237.1
[M+K]+	538.27766	221.3
[M+H-H2O]+	482.31176	212.9
[M+HCOO]-	544.31270	240.4
[M+CH3COO]-	558.32835	244.3
[M+Na-2H]-	520.28917	212.2
[M]+	499.31395	227.9
[M]-	499.31505	227.9

Literature stripe

Patent stripe