CID 70698941

Cer(d14:2(4e,6e)/18:0)

Structural Information

Molecular Formula
C32H61NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/C=C/CCCCCCC)O
InChI
InChI=1S/C32H61NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h21,23,25,27,30-31,34-35H,3-20,22,24,26,28-29H2,1-2H3,(H,33,36)/b23-21+,27-25+/t30-,31+/m0/s1
InChIKey
ATMGSBIBHRODFH-TYYRSTBESA-N
Compound name
N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.46515 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.47243 243.7
[M+Na]+ 530.45437 250.4
[M-H]- 506.45787 232.3
[M+NH4]+ 525.49897 241.2
[M+K]+ 546.42831 249.1
[M+H-H2O]+ 490.46241 241.6
[M+HCOO]- 552.46335 243.9
[M+CH3COO]- 566.47900 247.8
[M+Na-2H]- 528.43982 228.6
[M]+ 507.46460 239.1
[M]- 507.46570 239.1
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.