CID 171119547

Cer(t18:1(11e)/16:0(2oh))

Structural Information

Molecular Formula
C34H67NO5
SMILES
CCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCC/C=C/CCCCCC)O)O)O
InChI
InChI=1S/C34H67NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(37)33(39)30(29-36)35-34(40)32(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,30-33,36-39H,3-12,14,16-29H2,1-2H3,(H,35,40)/b15-13+/t30-,31+,32?,33-/m0/s1
InChIKey
ASDQDZPVGNOOMN-RJJXYQHISA-N
Compound name
2-hydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxyoctadec-11-en-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.50195 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.50923 252.7
[M+Na]+ 592.49117 256.3
[M-H]- 568.49467 243.2
[M+NH4]+ 587.53577 249.9
[M+K]+ 608.46511 257.4
[M+H-H2O]+ 552.49921 249.4
[M+HCOO]- 614.50015 243.1
[M+CH3COO]- 628.51580 255.4
[M+Na-2H]- 590.47662 235.4
[M]+ 569.50140 245.9
[M]- 569.50250 245.9
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.