CID 171119514

Cer(d18:2/24:0(2oh))

Structural Information

Molecular Formula
C42H81NO4
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O)O
InChI
InChI=1S/C42H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h8,10,34,36,39-41,44-46H,3-7,9,11-33,35,37-38H2,1-2H3,(H,43,47)/b10-8-,36-34+/t39-,40+,41?/m0/s1
InChIKey
XHGDWZQOCMZTPO-LOVJDQMWSA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]-2-hydroxytetracosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

663.6166 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.62388 276.2
[M+Na]+ 686.60582 280.2
[M-H]- 662.60932 262.8
[M+NH4]+ 681.65042 273.5
[M+K]+ 702.57976 283.5
[M+H-H2O]+ 646.61386 272.6
[M+HCOO]- 708.61480 268.5
[M+CH3COO]- 722.63045 275.8
[M+Na-2H]- 684.59127 256.6
[M]+ 663.61605 270.2
[M]- 663.61715 270.2
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.