CID 5273364

Yh025

Structural Information

Molecular Formula
C32H60N2O11
SMILES
CCCCCCCCCC(=O)NC[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CNC(=O)CCCCCCCCC)O)O)O)O)O)O
InChI
InChI=1S/C32H60N2O11/c1-3-5-7-9-11-13-15-17-23(35)33-19-21-25(37)27(39)29(41)31(43-21)45-32-30(42)28(40)26(38)22(44-32)20-34-24(36)18-16-14-12-10-8-6-4-2/h21-22,25-32,37-42H,3-20H2,1-2H3,(H,33,35)(H,34,36)/t21-,22-,25-,26-,27-,28+,29-,30-,31-,32?/m1/s1
InChIKey
OHDZAHZYBTWVPQ-LITHZLSHSA-N
Compound name
N-[[(2R,3S,4S,5R)-6-[(2R,3R,4R,5S,6R)-6-[(decanoylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

648.41974 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.42702 260.6
[M+Na]+ 671.40896 261.1
[M-H]- 647.41246 257.6
[M+NH4]+ 666.45356 252.5
[M+K]+ 687.38290 254.1
[M+H-H2O]+ 631.41700 250.6
[M+HCOO]- 693.41794 270.6
[M+CH3COO]- 707.43359 271.0
[M+Na-2H]- 669.39441 278.9
[M]+ 648.41919 248.0
[M]- 648.42029 248.0
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.