CID 5283573

Ceramide ng

Structural Information

Molecular Formula
C36H73NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1
InChIKey
KZTJQXAANJHSCE-OIDHKYIRSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

2506
Patents

567.559 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.56628 262.6
[M+Na]+ 590.54822 267.3
[M-H]- 566.55172 248.0
[M+NH4]+ 585.59282 259.3
[M+K]+ 606.52216 268.6
[M+H-H2O]+ 550.55626 259.8
[M+HCOO]- 612.55720 259.4
[M+CH3COO]- 626.57285 261.7
[M+Na-2H]- 588.53367 244.6
[M]+ 567.55845 258.1
[M]- 567.55955 258.1
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