CID 171119511

Cer(d18:1/36:0(36oh))

Structural Information

Molecular Formula
C54H107NO4
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C54H107NO4/c1-2-3-4-5-6-7-8-30-33-36-39-42-45-48-53(58)52(51-57)55-54(59)49-46-43-40-37-34-31-28-26-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-27-29-32-35-38-41-44-47-50-56/h45,48,52-53,56-58H,2-44,46-47,49-51H2,1H3,(H,55,59)/b48-45+/t52-,53+/m0/s1
InChIKey
QMFWGVQDUPUSKF-JAPASYNTSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-36-hydroxyhexatriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

833.82 Da
Monoisotopic Mass

22.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 834.82728 316.6
[M+Na]+ 856.80922 317.5
[M-H]- 832.81272 296.4
[M+NH4]+ 851.85382 311.9
[M+K]+ 872.78316 325.7
[M+H-H2O]+ 816.81726 311.2
[M+HCOO]- 878.81820 306.1
[M+CH3COO]- 892.83385 307.7
[M+Na-2H]- 854.79467 291.2
[M]+ 833.81945 311.2
[M]- 833.82055 311.2
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.