CID 70678814

Cer(d20:0/18:0(2oh))

Structural Information

Molecular Formula
C38H77NO4
SMILES
CCCCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)C(CCCCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C38H77NO4/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-36(41)35(34-40)39-38(43)37(42)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h35-37,40-42H,3-34H2,1-2H3,(H,39,43)/t35-,36+,37?/m0/s1
InChIKey
DIZADSMWNSTHGP-IFXQGTRDSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyicosan-2-yl]-2-hydroxyoctadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

611.58527 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.59255 268.9
[M+Na]+ 634.57449 272.3
[M-H]- 610.57799 255.3
[M+NH4]+ 629.61909 265.6
[M+K]+ 650.54843 274.9
[M+H-H2O]+ 594.58253 265.5
[M+HCOO]- 656.58347 260.9
[M+CH3COO]- 670.59912 267.3
[M+Na-2H]- 632.55994 249.7
[M]+ 611.58472 263.2
[M]- 611.58582 263.2
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