CID 171119472

Cer(d18:1(4e)/19:0(3oh))

Structural Information

Molecular Formula
C37H73NO4
SMILES
CCCCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O)O
InChI
InChI=1S/C37H73NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-34(40)32-37(42)38-35(33-39)36(41)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h29,31,34-36,39-41H,3-28,30,32-33H2,1-2H3,(H,38,42)/b31-29+/t34-,35+,36-/m1/s1
InChIKey
AIMXFYBSNNHTQN-CDKDJBPESA-N
Compound name
(3R)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-3-hydroxynonadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

595.55396 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.56124 262.8
[M+Na]+ 618.54318 267.0
[M-H]- 594.54668 250.4
[M+NH4]+ 613.58778 259.9
[M+K]+ 634.51712 268.7
[M+H-H2O]+ 578.55122 259.6
[M+HCOO]- 640.55216 256.1
[M+CH3COO]- 654.56781 263.3
[M+Na-2H]- 616.52863 244.6
[M]+ 595.55341 257.0
[M]- 595.55451 257.0
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.