CID 145715023

Cer(t18:0/29:0)

Structural Information

Molecular Formula
C47H95NO4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C47H95NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-46(51)48-44(43-49)47(52)45(50)41-39-37-35-33-31-16-14-12-10-8-6-4-2/h44-45,47,49-50,52H,3-43H2,1-2H3,(H,48,51)/t44-,45+,47-/m0/s1
InChIKey
WEVPPMQPUOEKFE-BOPYQAQKSA-N
Compound name
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]nonacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

737.72614 Da
Monoisotopic Mass

19.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 738.73342 297.3
[M+Na]+ 760.71536 299.2
[M-H]- 736.71886 280.4
[M+NH4]+ 755.75996 293.9
[M+K]+ 776.68930 305.5
[M+H-H2O]+ 720.72340 293.1
[M+HCOO]- 782.72434 286.0
[M+CH3COO]- 796.73999 291.4
[M+Na-2H]- 758.70081 274.6
[M]+ 737.72559 291.8
[M]- 737.72669 291.8
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.