CID 162422428

N-tetradecanoyl-3-oxosphinganine

Structural Information

Molecular Formula
C32H63NO3
SMILES
CCCCCCCCCCCCCCCC(=O)[C@H](CO)NC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h30,34H,3-29H2,1-2H3,(H,33,36)/t30-/m0/s1
InChIKey
LGVOWFDBBQAFOS-PMERELPUSA-N
Compound name
N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.4808 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.48808 247.5
[M+Na]+ 532.47002 251.3
[M+NH4]+ 527.51462 247.8
[M+K]+ 548.44396 248.7
[M-H]- 508.47352 235.4
[M+Na-2H]- 530.45547 248.0
[M]+ 509.48025 244.5
[M]- 509.48135 244.5
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.