CID 162422426

C16 3-ketodihydroceramide

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
2
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 253.6
[M+Na]+ 560.50132 260.3
[M-H]- 536.50482 240.9
[M+NH4]+ 555.54592 253.0
[M+K]+ 576.47526 260.3
[M+H-H2O]+ 520.50936 252.4
[M+HCOO]- 582.51030 253.7
[M+CH3COO]- 596.52595 257.8
[M+Na-2H]- 558.48677 237.8
[M]+ 537.51155 250.5
[M]- 537.51265 250.5
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.