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]+ 366.24864 192.8
[M+Na]+ 388.23058 190.7
[M-H]- 364.23408 184.0
[M+NH4]+ 383.27518 197.9
[M+K]+ 404.20452 190.3
[M+H-H2O]+ 348.23862 185.9
[M+HCOO]- 410.23956 192.3
[M+CH3COO]- 424.25521 211.5
[M+Na-2H]- 386.21603 184.6
[M]+ 365.24081 193.1
[M]- 365.24191 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.