CID 5273368

Yh041

Structural Information

Molecular Formula
C22H42N2O10
SMILES
CCCCCCCCNC(=O)CC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CN)O)O)O)O)O)O
InChI
InChI=1S/C22H42N2O10/c1-2-3-4-5-6-7-10-24-14(25)9-8-12-15(26)17(28)19(30)21(32-12)34-22-20(31)18(29)16(27)13(11-23)33-22/h12-13,15-22,26-31H,2-11,23H2,1H3,(H,24,25)/t12-,13-,15-,16-,17+,18-,19-,20-,21?,22-/m1/s1
InChIKey
SFGNPHRLENVYBO-GGNFRGGOSA-N
Compound name
3-[(2R,3S,4S,5R)-6-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]-N-octylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

494.28394 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.29122 221.2
[M+Na]+ 517.27316 219.4
[M-H]- 493.27666 218.8
[M+NH4]+ 512.31776 220.8
[M+K]+ 533.24710 219.4
[M+H-H2O]+ 477.28120 212.4
[M+HCOO]- 539.28214 225.2
[M+CH3COO]- 553.29779 240.3
[M+Na-2H]- 515.25861 213.3
[M]+ 494.28339 219.1
[M]- 494.28449 219.1
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.