CID 174432

85261-20-7

Structural Information

Molecular Formula
C17H35NO6
SMILES
CCCCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C17H35NO6/c1-3-4-5-6-7-8-9-10-15(22)18(2)11-13(20)16(23)17(24)14(21)12-19/h13-14,16-17,19-21,23-24H,3-12H2,1-2H3/t13-,14+,16+,17+/m0/s1
InChIKey
UMWKZHPREXJQGR-XOSAIJSUSA-N
Compound name
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

6467
Patents

349.24643 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.25371 191.0
[M+Na]+ 372.23565 189.6
[M-H]- 348.23915 183.7
[M+NH4]+ 367.28025 197.3
[M+K]+ 388.20959 189.2
[M+H-H2O]+ 332.24369 184.3
[M+HCOO]- 394.24463 191.8
[M+CH3COO]- 408.26028 211.4
[M+Na-2H]- 370.22110 183.2
[M]+ 349.24588 191.9
[M]- 349.24698 191.9
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