CID 15143244

N-dodecyl-n-methylgluconamide

Structural Information

Molecular Formula
C19H39NO6
SMILES
CCCCCCCCCCCCN(C)C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C19H39NO6/c1-3-4-5-6-7-8-9-10-11-12-13-20(2)19(26)18(25)17(24)16(23)15(22)14-21/h15-18,21-25H,3-14H2,1-2H3/t15-,16-,17+,18-/m1/s1
InChIKey
WRBSFINFCKCUDF-ZJPYXAASSA-N
Compound name
(2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.27774 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.28502 199.8
[M+Na]+ 400.26696 197.6
[M-H]- 376.27046 192.2
[M+NH4]+ 395.31156 204.5
[M+K]+ 416.24090 196.7
[M+H-H2O]+ 360.27500 192.8
[M+HCOO]- 422.27594 198.2
[M+CH3COO]- 436.29159 217.2
[M+Na-2H]- 398.25241 191.0
[M]+ 377.27719 201.4
[M]- 377.27829 201.4
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.