CID 509192

8-(methoxycarbonyl)octyl 5-deoxy-5-[(4s)-4-(hydroxymethyl)pyrrolidin-1-yl]-.alpha.-d-arabinofuranoside

Structural Information

Molecular Formula
C20H37NO7
SMILES
COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CN2CCC[C@H]2CO)O)O
InChI
InChI=1S/C20H37NO7/c1-26-17(23)10-6-4-2-3-5-7-12-27-20-19(25)18(24)16(28-20)13-21-11-8-9-15(21)14-22/h15-16,18-20,22,24-25H,2-14H2,1H3/t15-,16+,18+,19-,20-/m0/s1
InChIKey
MRNWGRASAUJIIL-NXHKRRBXSA-N
Compound name
methyl 9-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]oxynonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.257 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.26428 199.0
[M+Na]+ 426.24622 199.8
[M-H]- 402.24972 199.3
[M+NH4]+ 421.29082 208.5
[M+K]+ 442.22016 198.3
[M+H-H2O]+ 386.25426 192.2
[M+HCOO]- 448.25520 210.7
[M+CH3COO]- 462.27085 215.9
[M+Na-2H]- 424.23167 192.0
[M]+ 403.25645 201.7
[M]- 403.25755 201.7
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.