CID 78689

2-imidazolidinone, 1-octadecyl-

Structural Information

Molecular Formula
C21H42N2O
SMILES
CCCCCCCCCCCCCCCCCCN1CCNC1=O
InChI
InChI=1S/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21(23)24/h2-20H2,1H3,(H,22,24)
InChIKey
BTHOZYQLVNAFEX-UHFFFAOYSA-N
Compound name
1-octadecylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

338.3297 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.33698 193.7
[M+Na]+ 361.31892 194.5
[M-H]- 337.32242 190.1
[M+NH4]+ 356.36352 205.7
[M+K]+ 377.29286 189.2
[M+H-H2O]+ 321.32696 184.4
[M+HCOO]- 383.32790 208.3
[M+CH3COO]- 397.34355 213.1
[M+Na-2H]- 359.30437 189.9
[M]+ 338.32915 196.1
[M]- 338.33025 196.1
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