CID 171119539

Cer(t18:0/32:0(2oh))

Structural Information

Molecular Formula
C50H101NO5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C50H101NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-48(54)50(56)51-46(45-52)49(55)47(53)43-41-39-37-35-33-16-14-12-10-8-6-4-2/h46-49,52-55H,3-45H2,1-2H3,(H,51,56)/t46-,47+,48?,49-/m0/s1
InChIKey
FQGSUSOKPJGOOD-GMENNFPBSA-N
Compound name
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]dotriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

795.768 Da
Monoisotopic Mass

20.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 796.77528 305.7
[M+Na]+ 818.75722 306.1
[M-H]- 794.76072 289.4
[M+NH4]+ 813.80182 302.4
[M+K]+ 834.73116 314.2
[M+H-H2O]+ 778.76526 300.7
[M+HCOO]- 840.76620 289.2
[M+CH3COO]- 854.78185 299.1
[M+Na-2H]- 816.74267 281.6
[M]+ 795.76745 299.7
[M]- 795.76855 299.7
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.