CID 6321368

Glccer(42:0)

Structural Information

Molecular Formula
C48H95NO8
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C(C([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C48H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h41-43,45-48,50-51,53-55H,3-40H2,1-2H3,(H,49,52)/t41-,42+,43+,45+,46?,47?,48+/m0/s1
InChIKey
SNPQGCDJHZAVOB-GRWFBJOFSA-N
Compound name
N-[(2S,3R)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]tetracosanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

813.70575 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 814.713026 304.9
[M+Na]+ 836.694968 304.9
[M-H]- 812.698474 292.3
[M+NH4]+ 831.739573 300.3
[M+K]+ 852.668908 309.6
[M+H-H2O]+ 796.703010 301.4
[M+HCOO]- 858.703951 302.5
[M+CH3COO]- 872.719601 299.8
[M+Na-2H]- 834.680416 279.8
[M]+ 813.70520142 298.8
[M]- 813.70629858 298.8
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