CID 52931127

N-(2-hydroxytetracosanoyl)-phytoceramide

Structural Information

Molecular Formula
C42H85NO5
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40?,41-/m0/s1
InChIKey
ZFUXWVVVWGWGPQ-KGXKBISVSA-N
Compound name
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

683.64276 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 684.65004 283.4
[M+Na]+ 706.63198 285.7
[M+NH4]+ 701.67658 284.1
[M+K]+ 722.60592 285.5
[M-H]- 682.63548 271.6
[M+Na-2H]- 704.61743 281.0
[M]+ 683.64221 280.4
[M]- 683.64331 280.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe