CID 171119509

Cer(d18:1/34:0(34oh))

Structural Information

Molecular Formula
C52H103NO4
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C52H103NO4/c1-2-3-4-5-6-7-8-28-31-34-37-40-43-46-51(56)50(49-55)53-52(57)47-44-41-38-35-32-29-26-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-27-30-33-36-39-42-45-48-54/h43,46,50-51,54-56H,2-42,44-45,47-49H2,1H3,(H,53,57)/b46-43+/t50-,51+/m0/s1
InChIKey
AAVOETLNCLPROH-WNDNFMBUSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-34-hydroxytetratriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

805.7887 Da
Monoisotopic Mass

21.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 806.79598 310.8
[M+Na]+ 828.77792 312.0
[M-H]- 804.78142 291.3
[M+NH4]+ 823.82252 306.1
[M+K]+ 844.75186 319.4
[M+H-H2O]+ 788.78596 305.6
[M+HCOO]- 850.78690 301.0
[M+CH3COO]- 864.80255 302.6
[M+Na-2H]- 826.76337 286.1
[M]+ 805.78815 305.2
[M]- 805.78925 305.2
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.