CID 162572

49686-00-2

Structural Information

Molecular Formula
C22H44N2O4
SMILES
CCCCCCCCCCCCCCCCCCN1C(C(N(C1=O)CO)O)O
InChI
InChI=1S/C22H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(26)21(27)24(19-25)22(23)28/h20-21,25-27H,2-19H2,1H3
InChIKey
ZYXBWVMDAHODGC-UHFFFAOYSA-N
Compound name
4,5-dihydroxy-1-(hydroxymethyl)-3-octadecylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.3301 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.33738 205.5
[M+Na]+ 423.31932 207.3
[M-H]- 399.32282 200.1
[M+NH4]+ 418.36392 214.2
[M+K]+ 439.29326 201.8
[M+H-H2O]+ 383.32736 197.2
[M+HCOO]- 445.32830 217.3
[M+CH3COO]- 459.34395 220.7
[M+Na-2H]- 421.30477 198.9
[M]+ 400.32955 209.9
[M]- 400.33065 209.9
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

No patent data available for this compound.