CID 6481850

(2s)-2-amino-n-tetradecyl-3-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanamide

Structural Information

Molecular Formula
C23H46N2O7
SMILES
CCCCCCCCCCCCCCNC(=O)[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N
InChI
InChI=1S/C23H46N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-22(30)17(24)16-31-23-21(29)20(28)19(27)18(15-26)32-23/h17-21,23,26-29H,2-16,24H2,1H3,(H,25,30)/t17-,18+,19-,20-,21+,23+/m0/s1
InChIKey
HGKYGQHAQOYASO-ZJJXDXEASA-N
Compound name
(2S)-2-amino-N-tetradecyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.3305 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.33778 217.5
[M+Na]+ 485.31972 215.0
[M-H]- 461.32322 213.0
[M+NH4]+ 480.36432 221.0
[M+K]+ 501.29366 212.9
[M+H-H2O]+ 445.32776 208.9
[M+HCOO]- 507.32870 226.9
[M+CH3COO]- 521.34435 235.6
[M+Na-2H]- 483.30517 209.9
[M]+ 462.32995 218.4
[M]- 462.33105 218.4
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.