CID 5702614

C8 ceramide

Structural Information

Molecular Formula
C26H51NO3
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCC)O
InChI
InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h19,21,24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/b21-19+/t24-,25+/m0/s1
InChIKey
APDLCSPGWPLYEQ-WRBRXSDHSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

412
Patents

425.3869 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.39418 220.9
[M+Na]+ 448.37612 217.9
[M-H]- 424.37962 214.6
[M+NH4]+ 443.42072 222.7
[M+K]+ 464.35006 212.6
[M+H-H2O]+ 408.38416 212.6
[M+HCOO]- 470.38510 226.9
[M+CH3COO]- 484.40075 231.9
[M+Na-2H]- 446.36157 212.9
[M]+ 425.38635 225.8
[M]- 425.38745 225.8
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