CID 70698963

Cer(d14:2(4e,6e)/20:0(2oh))

Structural Information

Molecular Formula
C34H65NO4
SMILES
CCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/C=C/CCCCCCC)O)O
InChI
InChI=1S/C34H65NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-33(38)34(39)35-31(30-36)32(37)28-26-24-22-20-12-10-8-6-4-2/h22,24,26,28,31-33,36-38H,3-21,23,25,27,29-30H2,1-2H3,(H,35,39)/b24-22+,28-26+/t31-,32+,33?/m0/s1
InChIKey
NATVYXMEXLMFRF-MGCCHZMNSA-N
Compound name
N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]-2-hydroxyicosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.49133 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.49861 250.2
[M+Na]+ 574.48055 255.5
[M-H]- 550.48405 239.8
[M+NH4]+ 569.52515 247.7
[M+K]+ 590.45449 255.6
[M+H-H2O]+ 534.48859 247.4
[M+HCOO]- 596.48953 245.6
[M+CH3COO]- 610.50518 253.8
[M+Na-2H]- 572.46600 233.8
[M]+ 551.49078 244.3
[M]- 551.49188 244.3
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.