CID 10582678

Cer(d16:1/18:0)

Structural Information

Molecular Formula
C34H67NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCC)O
InChI
InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
InChIKey
UQKAUNJILIUTGT-TURZORIXSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyhexadec-4-en-2-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

537.5121 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.51938 253.1
[M+Na]+ 560.50132 258.9
[M-H]- 536.50482 240.1
[M+NH4]+ 555.54592 250.2
[M+K]+ 576.47526 258.8
[M+H-H2O]+ 520.50936 250.7
[M+HCOO]- 582.51030 251.6
[M+CH3COO]- 596.52595 254.8
[M+Na-2H]- 558.48677 236.6
[M]+ 537.51155 248.6
[M]- 537.51265 248.6
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

patents stripe