CID 10031001

Ceramide ho3

Structural Information

Molecular Formula
C33H67NO6
SMILES
CCCCCCCCCCCCCCOCC(CNC(=O)CCCCCCCC(C(CCCCCCO)O)O)O
InChI
InChI=1S/C33H67NO6/c1-2-3-4-5-6-7-8-9-10-11-17-22-27-40-29-30(36)28-34-33(39)25-20-14-12-13-18-23-31(37)32(38)24-19-15-16-21-26-35/h30-32,35-38H,2-29H2,1H3,(H,34,39)
InChIKey
OCOAAZPOBSWYQB-UHFFFAOYSA-N
Compound name
9,10,16-trihydroxy-N-(2-hydroxy-3-tetradecoxypropyl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

573.4968 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.50408 256.0
[M+Na]+ 596.48602 258.1
[M-H]- 572.48952 245.0
[M+NH4]+ 591.53062 251.9
[M+K]+ 612.45996 258.6
[M+H-H2O]+ 556.49406 252.2
[M+HCOO]- 618.49500 248.2
[M+CH3COO]- 632.51065 254.9
[M+Na-2H]- 594.47147 237.3
[M]+ 573.49625 249.4
[M]- 573.49735 249.4
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

patents stripe