CID 134752927

Cer(d14:0/13:0)

Structural Information

Molecular Formula
C27H55NO3
SMILES
CCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCC)O
InChI
InChI=1S/C27H55NO3/c1-3-5-7-9-11-13-15-17-19-21-23-27(31)28-25(24-29)26(30)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24H2,1-2H3,(H,28,31)/t25-,26+/m0/s1
InChIKey
NNBMGBCEEBITHU-IZZNHLLZSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]tridecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.41818 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.42546 226.4
[M+Na]+ 464.40740 222.6
[M-H]- 440.41090 220.4
[M+NH4]+ 459.45200 228.5
[M+K]+ 480.38134 217.7
[M+H-H2O]+ 424.41544 217.9
[M+HCOO]- 486.41638 231.8
[M+CH3COO]- 500.43203 236.1
[M+Na-2H]- 462.39285 218.0
[M]+ 441.41763 227.7
[M]- 441.41873 227.7
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.