CID 134812530

Cer(t18:1(8z)/20:0(2oh[r]))

Structural Information

Molecular Formula
C38H75NO5
SMILES
CCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H]([C@@H](CCC/C=C\CCCCCCCCC)O)O)O
InChI
InChI=1S/C38H75NO5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36(42)38(44)39-34(33-40)37(43)35(41)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h23,25,34-37,40-43H,3-22,24,26-33H2,1-2H3,(H,39,44)/b25-23-/t34-,35+,36+,37-/m0/s1
InChIKey
RIAQFLRTXLRBQM-MSSQOGCLSA-N
Compound name
(2R)-2-hydroxy-N-[(Z,2S,3S,4R)-1,3,4-trihydroxyoctadec-8-en-2-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

625.5645 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.57178 265.8
[M+Na]+ 648.55372 268.7
[M-H]- 624.55722 254.7
[M+NH4]+ 643.59832 262.8
[M+K]+ 664.52766 271.4
[M+H-H2O]+ 608.56176 262.0
[M+HCOO]- 670.56270 254.6
[M+CH3COO]- 684.57835 266.4
[M+Na-2H]- 646.53917 246.8
[M]+ 625.56395 259.0
[M]- 625.56505 259.0
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.