CID 171119561

Cer(t18:1(6oh)/20:0)

Structural Information

Molecular Formula
C38H75NO4
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O
InChI
InChI=1S/C38H75NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-38(43)39-36(34-40)37(42)33-32-35(41)30-28-26-24-22-14-12-10-8-6-4-2/h32-33,35-37,40-42H,3-31,34H2,1-2H3,(H,39,43)/b33-32+/t35-,36+,37-/m1/s1
InChIKey
MXHQMRTXMSDTBS-NNRXIFKDSA-N
Compound name
N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

609.5696 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.57688 266.1
[M+Na]+ 632.55882 270.1
[M-H]- 608.56232 253.3
[M+NH4]+ 627.60342 263.1
[M+K]+ 648.53276 272.3
[M+H-H2O]+ 592.56686 262.8
[M+HCOO]- 654.56780 259.0
[M+CH3COO]- 668.58345 266.1
[M+Na-2H]- 630.54427 247.5
[M]+ 609.56905 260.2
[M]- 609.57015 260.2
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

No patent data available for this compound.