CID 162422426

N-hexadecanoyl-3-oxosphinganine

Structural Information

Molecular Formula
C34H67NO3
SMILES
CCCCCCCCCCCCCCCC(=O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,36H,3-31H2,1-2H3,(H,35,38)/t32-/m0/s1
InChIKey
KOBCXJLOSVLMFJ-YTTGMZPUSA-N
Compound name
N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.5121 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.51938 254.2
[M+Na]+ 560.50132 257.8
[M+NH4]+ 555.54592 254.5
[M+K]+ 576.47526 255.6
[M-H]- 536.50482 241.4
[M+Na-2H]- 558.48677 254.0
[M]+ 537.51155 251.1
[M]- 537.51265 251.1
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.