CID 6610274

Cer(d18:0/8:0)

Structural Information

Molecular Formula
C26H53NO3
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCC)O
InChI
InChI=1S/C26H53NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h24-25,28-29H,3-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1
InChIKey
LGOFBZUQIUVJFS-LOSJGSFVSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

61
Patents

427.40256 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.409836 222.2
[M+Na]+ 450.391778 218.8
[M-H]- 426.395284 215.8
[M+NH4]+ 445.436383 225.0
[M+K]+ 466.365718 214.1
[M+H-H2O]+ 410.399820 213.8
[M+HCOO]- 472.400761 228.7
[M+CH3COO]- 486.416411 233.2
[M+Na-2H]- 448.377226 214.2
[M]+ 427.40201142 227.9
[M]- 427.40310858 227.9
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