CID 86289450

N-dodecanoylphytosphingosine

Structural Information

Molecular Formula
C30H61NO4
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCCCCCCCC)O)O
InChI
InChI=1S/C30H61NO4/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-28(33)30(35)27(26-32)31-29(34)25-23-21-19-16-12-10-8-6-4-2/h27-28,30,32-33,35H,3-26H2,1-2H3,(H,31,34)/t27-,28+,30-/m0/s1
InChIKey
NGPJDSJKORHGMX-LXQNXJGFSA-N
Compound name
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

499.46005 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.46733 243.5
[M+Na]+ 522.44927 247.0
[M+NH4]+ 517.49387 244.0
[M+K]+ 538.42321 244.2
[M-H]- 498.45277 233.7
[M+Na-2H]- 520.43472 244.6
[M]+ 499.45950 240.9
[M]- 499.46060 240.9
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

patents stripe