CID 170583333

N-[(2s,3r)-1,3-dihydroxyoctadecan-2-yl]-31-hydroxyhentriacontanamide

Structural Information

Molecular Formula
C49H99NO4
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C49H99NO4/c1-2-3-4-5-6-7-8-25-28-31-34-37-40-43-48(53)47(46-52)50-49(54)44-41-38-35-32-29-26-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-27-30-33-36-39-42-45-51/h47-48,51-53H,2-46H2,1H3,(H,50,54)/t47-,48+/m0/s1
InChIKey
CZVZDJSSUGKSBY-JYHRMSDVSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-31-hydroxyhentriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

765.7574 Da
Monoisotopic Mass

19.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 766.76468 304.8
[M+Na]+ 788.74662 305.8
[M-H]- 764.75012 285.6
[M+NH4]+ 783.79122 299.8
[M+K]+ 804.72056 312.4
[M+H-H2O]+ 748.75466 299.7
[M+HCOO]- 810.75560 295.1
[M+CH3COO]- 824.77125 295.9
[M+Na-2H]- 786.73207 280.6
[M]+ 765.75685 299.2
[M]- 765.75795 299.2
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.