CID 15350691

Aqua-ceramide

Structural Information

Molecular Formula
C40H81NO6
SMILES
CCCCCCCCCCCCCCCCOCC(CN(CCCOC)C(=O)CCCCCCCCCCCCC)OCC(CO)O
InChI
InChI=1S/C40H81NO6/c1-4-6-8-10-12-14-16-17-18-20-22-24-26-28-33-46-37-39(47-36-38(43)35-42)34-41(31-29-32-45-3)40(44)30-27-25-23-21-19-15-13-11-9-7-5-2/h38-39,42-43H,4-37H2,1-3H3
InChIKey
KHWYIJAORSAUBD-UHFFFAOYSA-N
Compound name
N-[2-(2,3-dihydroxypropoxy)-3-hexadecoxypropyl]-N-(3-methoxypropyl)tetradecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

522
Patents

671.6064 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 672.61368 282.6
[M+Na]+ 694.59562 286.7
[M-H]- 670.59912 270.3
[M+NH4]+ 689.64022 285.5
[M+K]+ 710.56956 289.8
[M+H-H2O]+ 654.60366 281.8
[M+HCOO]- 716.60460 277.3
[M+CH3COO]- 730.62025 280.5
[M+Na-2H]- 692.58107 263.3
[M]+ 671.60585 280.1
[M]- 671.60695 280.1
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