CID 70698948

Cer(d15:2(4e,6e)/22:0)

Structural Information

Molecular Formula
C37H71NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/C=C/CCCCCCCC)O
InChI
InChI=1S/C37H71NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-37(41)38-35(34-39)36(40)32-30-28-26-24-14-12-10-8-6-4-2/h26,28,30,32,35-36,39-40H,3-25,27,29,31,33-34H2,1-2H3,(H,38,41)/b28-26+,32-30+/t35-,36+/m0/s1
InChIKey
DJVWDCOKAJCRDK-BLRRJSBFSA-N
Compound name
N-[(2S,3R,4E,6E)-1,3-dihydroxypentadeca-4,6-dien-2-yl]docosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.5434 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.55068 260.6
[M+Na]+ 600.53262 266.4
[M-H]- 576.53612 247.3
[M+NH4]+ 595.57722 257.9
[M+K]+ 616.50656 267.2
[M+H-H2O]+ 560.54066 257.9
[M+HCOO]- 622.54160 258.8
[M+CH3COO]- 636.55725 261.9
[M+Na-2H]- 598.51807 243.3
[M]+ 577.54285 255.7
[M]- 577.54395 255.7
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.