CID 162422430

N-capryl-3-ketosphinganine

Structural Information

Molecular Formula
C28H55NO3
SMILES
CCCCCCCCCCCCCCCC(=O)[C@H](CO)NC(=O)CCCCCCCCC
InChI
InChI=1S/C28H55NO3/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-27(31)26(25-30)29-28(32)24-22-20-17-10-8-6-4-2/h26,30H,3-25H2,1-2H3,(H,29,32)/t26-/m0/s1
InChIKey
HFJACIFXJWXLFZ-SANMLTNESA-N
Compound name
N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.41818 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.42546 229.3
[M+Na]+ 476.40740 240.4
[M-H]- 452.41090 222.3
[M+NH4]+ 471.45200 232.3
[M+K]+ 492.38134 220.9
[M+H-H2O]+ 436.41544 220.4
[M+HCOO]- 498.41638 235.1
[M+CH3COO]- 512.43203 240.7
[M+Na-2H]- 474.39285 220.9
[M]+ 453.41763 230.1
[M]- 453.41873 230.1
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.