CID 171119508

Cer(d18:1/33:0(33oh))

Structural Information

Molecular Formula
C51H101NO4
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C51H101NO4/c1-2-3-4-5-6-7-8-27-30-33-36-39-42-45-50(55)49(48-54)52-51(56)46-43-40-37-34-31-28-25-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-26-29-32-35-38-41-44-47-53/h42,45,49-50,53-55H,2-41,43-44,46-48H2,1H3,(H,52,56)/b45-42+/t49-,50+/m0/s1
InChIKey
VSXBLHQVVDSYFJ-CWEFCRPCSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-33-hydroxytritriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

791.7731 Da
Monoisotopic Mass

20.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 792.78038 307.9
[M+Na]+ 814.76232 309.2
[M-H]- 790.76582 288.7
[M+NH4]+ 809.80692 303.1
[M+K]+ 830.73626 316.2
[M+H-H2O]+ 774.77036 302.7
[M+HCOO]- 836.77130 298.4
[M+CH3COO]- 850.78695 300.0
[M+Na-2H]- 812.74777 283.5
[M]+ 791.77255 302.2
[M]- 791.77365 302.2
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.