CID 138961635

Cer(t15:0/16:0)

Structural Information

Molecular Formula
C31H63NO4
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCC)O)O
InChI
InChI=1S/C31H63NO4/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-30(35)32-28(27-33)31(36)29(34)25-23-21-19-17-12-10-8-6-4-2/h28-29,31,33-34,36H,3-27H2,1-2H3,(H,32,35)/t28-,29+,31-/m0/s1
InChIKey
IBCHNZWBQWAYRX-FLBADVGZSA-N
Compound name
N-[(2S,3S,4R)-1,3,4-trihydroxypentadecan-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.4757 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.48298 245.5
[M+Na]+ 536.46492 250.0
[M-H]- 512.46842 234.5
[M+NH4]+ 531.50952 242.3
[M+K]+ 552.43886 249.8
[M+H-H2O]+ 496.47296 242.9
[M+HCOO]- 558.47390 240.2
[M+CH3COO]- 572.48955 247.9
[M+Na-2H]- 534.45037 229.2
[M]+ 513.47515 240.0
[M]- 513.47625 240.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.