CID 70698962

Cer(d14:2(4e,6e)/18:1(9z)(2oh))

Structural Information

Molecular Formula
C32H59NO4
SMILES
CCCCCCCC/C=C\CCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/C=C/CCCCCCC)O)O
InChI
InChI=1S/C32H59NO4/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-31(36)32(37)33-29(28-34)30(35)26-24-22-20-18-12-10-8-6-4-2/h15-16,20,22,24,26,29-31,34-36H,3-14,17-19,21,23,25,27-28H2,1-2H3,(H,33,37)/b16-15-,22-20+,26-24+/t29-,30+,31?/m0/s1
InChIKey
NHHBVFLFFZXGOQ-BMXYDZIQSA-N
Compound name
(Z)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]-2-hydroxyoctadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.4444 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.45168 240.9
[M+Na]+ 544.43362 247.2
[M-H]- 520.43712 232.1
[M+NH4]+ 539.47822 238.8
[M+K]+ 560.40756 246.0
[M+H-H2O]+ 504.44166 238.4
[M+HCOO]- 566.44260 238.0
[M+CH3COO]- 580.45825 246.8
[M+Na-2H]- 542.41907 226.0
[M]+ 521.44385 234.9
[M]- 521.44495 234.9
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.