CID 66553556

N-[(e,1s,2s,3r)-2,3-dihydroxy-1-(hydroxymethyl)heptadec-10-enyl]-2,3-dihydroxy-hexacosanamide

Structural Information

Molecular Formula
C44H87NO6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(C(C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCC/C=C/CCCCCC)O)O)O)O
InChI
InChI=1S/C44H87NO6/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(48)43(50)44(51)45-39(38-46)42(49)40(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h14,16,39-43,46-50H,3-13,15,17-38H2,1-2H3,(H,45,51)/b16-14+/t39-,40+,41?,42-,43?/m0/s1
InChIKey
OUVFMUMVGUPQJP-KYADSQKJSA-N
Compound name
2,3-dihydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxyoctadec-11-en-2-yl]hexacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

725.6533 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 726.66058 284.3
[M+Na]+ 748.64252 285.2
[M-H]- 724.64602 272.6
[M+NH4]+ 743.68712 281.3
[M+K]+ 764.61646 290.9
[M+H-H2O]+ 708.65056 279.5
[M+HCOO]- 770.65150 266.8
[M+CH3COO]- 784.66715 282.8
[M+Na-2H]- 746.62797 262.7
[M]+ 725.65275 277.0
[M]- 725.65385 277.0
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.