CID 10032960

(2r)-n-[(e,2s,3r)-3,8-dihydroxy-9-methylidene-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-2-hydroxyhexadecanamide

Structural Information

Molecular Formula
C41H77NO10
SMILES
CCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCC(C(=C)CCCCCCCCC)O)O)O
InChI
InChI=1S/C41H77NO10/c1-4-6-8-10-12-13-14-15-16-18-20-22-28-35(46)40(50)42-32(30-51-41-39(49)38(48)37(47)36(29-43)52-41)34(45)27-24-23-26-33(44)31(3)25-21-19-17-11-9-7-5-2/h24,27,32-39,41,43-49H,3-23,25-26,28-30H2,1-2H3,(H,42,50)/b27-24+/t32-,33?,34+,35+,36+,37+,38-,39+,41+/m0/s1
InChIKey
OJWZQESYKTYPLG-RSPWGLAKSA-N
Compound name
(2R)-N-[(E,2S,3R)-3,8-dihydroxy-9-methylidene-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-2-hydroxyhexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

743.55475 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 744.56203 275.6
[M+Na]+ 766.54397 276.1
[M-H]- 742.54747 271.4
[M+NH4]+ 761.58857 273.1
[M+K]+ 782.51791 278.9
[M+H-H2O]+ 726.55201 272.3
[M+HCOO]- 788.55295 266.8
[M+CH3COO]- 802.56860 283.2
[M+Na-2H]- 764.52942 254.4
[M]+ 743.55420 267.9
[M]- 743.55530 267.9
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.