CID 70679252

15-methylhexadecaphytosphingosine

Structural Information

Molecular Formula
C17H37NO3
SMILES
CC(C)CCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O
InChI
InChI=1S/C17H37NO3/c1-14(2)11-9-7-5-3-4-6-8-10-12-16(20)17(21)15(18)13-19/h14-17,19-21H,3-13,18H2,1-2H3/t15-,16+,17-/m0/s1
InChIKey
LKHKEQFLKWCGTG-BBWFWOEESA-N
Compound name
(2S,3S,4R)-2-amino-15-methylhexadecane-1,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.27734 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.28462 185.5
[M+Na]+ 326.26656 184.9
[M-H]- 302.27006 179.0
[M+NH4]+ 321.31116 197.5
[M+K]+ 342.24050 182.4
[M+H-H2O]+ 286.27460 178.9
[M+HCOO]- 348.27554 198.1
[M+CH3COO]- 362.29119 206.3
[M+Na-2H]- 324.25201 179.0
[M]+ 303.27679 184.9
[M]- 303.27789 184.9
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