CID 5270715

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

Structural Information

Molecular Formula
C24H48N2O6
SMILES
CCCCCCCCCCCCCCNC(=O)[C@@H](CC[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N
InChI
InChI=1S/C24H48N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-26-24(31)18(25)14-15-19-21(28)23(30)22(29)20(17-27)32-19/h18-23,27-30H,2-17,25H2,1H3,(H,26,31)/t18-,19+,20-,21+,22+,23-/m1/s1
InChIKey
XQYIZDXKYHCTTL-LLFXUEIYSA-N
Compound name
(2R)-2-amino-N-tetradecyl-4-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.35123 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.35851 220.3
[M+Na]+ 483.34045 217.6
[M-H]- 459.34395 215.6
[M+NH4]+ 478.38505 224.0
[M+K]+ 499.31439 214.5
[M+H-H2O]+ 443.34849 211.8
[M+HCOO]- 505.34943 229.1
[M+CH3COO]- 519.36508 236.2
[M+Na-2H]- 481.32590 211.9
[M]+ 460.35068 220.1
[M]- 460.35178 220.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.