CID 171119501

Cer(d18:1(6oh)/34:0(34oh))

Structural Information

Molecular Formula
C52H103NO5
SMILES
CCCCCCCCCCCC[C@H](/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O)O
InChI
InChI=1S/C52H103NO5/c1-2-3-4-5-6-7-31-34-37-40-43-49(56)45-46-51(57)50(48-55)53-52(58)44-41-38-35-32-29-27-25-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-26-28-30-33-36-39-42-47-54/h45-46,49-51,54-57H,2-44,47-48H2,1H3,(H,53,58)/b46-45+/t49-,50+,51-/m1/s1
InChIKey
JPRXVGJHBZJBAM-YRXBGEFCSA-N
Compound name
34-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]tetratriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

821.7836 Da
Monoisotopic Mass

19.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 822.79088 310.0
[M+Na]+ 844.77282 310.2
[M-H]- 820.77632 292.3
[M+NH4]+ 839.81742 305.4
[M+K]+ 860.74676 318.1
[M+H-H2O]+ 804.78086 304.4
[M+HCOO]- 866.78180 296.1
[M+CH3COO]- 880.79745 302.5
[M+Na-2H]- 842.75827 285.1
[M]+ 821.78305 303.8
[M]- 821.78415 303.8
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.