CID 17754023

Hg9a-9, nonanoyl-n-hydroxyethylglucamide

Structural Information

Molecular Formula
C17H35NO7
SMILES
CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O
InChI
InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14+,16-,17+/m1/s1
InChIKey
REPLXGVUTGZQCG-WTTBNOFXSA-N
Compound name
N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.24136 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.248636 192.8
[M+Na]+ 388.230578 190.7
[M-H]- 364.234084 184.0
[M+NH4]+ 383.275183 197.9
[M+K]+ 404.204518 190.3
[M+H-H2O]+ 348.238620 185.9
[M+HCOO]- 410.239561 192.3
[M+CH3COO]- 424.255211 211.5
[M+Na-2H]- 386.216026 184.6
[M]+ 365.24081142 193.1
[M]- 365.24190858 193.1
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

No patent data available for this compound.