CID 53481047

Cer(d18:0/18:1(11z))

Structural Information

Molecular Formula
C36H71NO3
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCC/C=C\CCCCCC)O
InChI
InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,34-35,38-39H,3-12,14,16-33H2,1-2H3,(H,37,40)/b15-13-/t34-,35+/m0/s1
InChIKey
URHLXWKKSRFRJJ-RLMMGFKESA-N
Compound name
(Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadec-11-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

565.5434 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.55068 259.3
[M+Na]+ 588.53262 263.0
[M+NH4]+ 583.57722 258.8
[M+K]+ 604.50656 260.9
[M-H]- 564.53612 246.3
[M+Na-2H]- 586.51807 258.5
[M]+ 565.54285 256.0
[M]- 565.54395 256.0
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.