CID 70678880

N-myristoylphytoceramide

Structural Information

Molecular Formula
C32H65NO4
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O)O
InChI
InChI=1S/C32H65NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-30(35)32(37)29(28-34)33-31(36)27-25-23-21-19-16-14-12-10-8-6-4-2/h29-30,32,34-35,37H,3-28H2,1-2H3,(H,33,36)/t29-,30+,32-/m0/s1
InChIKey
GULXQHPLVZZOTF-WTGSTYHVSA-N
Compound name
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.49133 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.49861 248.9
[M+Na]+ 550.48055 253.3
[M-H]- 526.48405 237.6
[M+NH4]+ 545.52515 245.7
[M+K]+ 566.45449 253.4
[M+H-H2O]+ 510.48859 246.2
[M+HCOO]- 572.48953 243.2
[M+CH3COO]- 586.50518 250.7
[M+Na-2H]- 548.46600 232.2
[M]+ 527.49078 243.4
[M]- 527.49188 243.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.