CID 110194

68400-57-7

Structural Information

Molecular Formula
C22H45NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(CO)(CO)CO
InChI
InChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)23-22(18-24,19-25)20-26/h24-26H,2-20H2,1H3,(H,23,27)
InChIKey
LQRFVSAFANRBHO-UHFFFAOYSA-N
Compound name
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

387.33487 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.34215 203.3
[M+Na]+ 410.32409 206.1
[M+NH4]+ 405.36869 208.5
[M+K]+ 426.29803 200.9
[M-H]- 386.32759 198.6
[M+Na-2H]- 408.30954 199.8
[M]+ 387.33432 201.7
[M]- 387.33542 201.7
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