CID 171119549

Cer(t18:1(6oh)/14:0)

Structural Information

Molecular Formula
C32H63NO4
SMILES
CCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O
InChI
InChI=1S/C32H63NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(37)33-30(28-34)31(36)27-26-29(35)24-22-20-18-16-14-12-10-8-6-4-2/h26-27,29-31,34-36H,3-25,28H2,1-2H3,(H,33,37)/b27-26+/t29-,30+,31-/m1/s1
InChIKey
ZHXNTBBQMJFPTO-UXHYMLFMSA-N
Compound name
N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.4757 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.48298 246.1
[M+Na]+ 548.46492 251.1
[M-H]- 524.46842 235.6
[M+NH4]+ 543.50952 243.3
[M+K]+ 564.43886 250.8
[M+H-H2O]+ 508.47296 243.5
[M+HCOO]- 570.47390 241.4
[M+CH3COO]- 584.48955 249.4
[M+Na-2H]- 546.45037 230.0
[M]+ 525.47515 240.5
[M]- 525.47625 240.5
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.