CID 169821

1,1-bis(2-hydroxyethyl)-3-octadecylurea

Structural Information

Molecular Formula
C23H48N2O3
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)N(CCO)CCO
InChI
InChI=1S/C23H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-23(28)25(19-21-26)20-22-27/h26-27H,2-22H2,1H3,(H,24,28)
InChIKey
PWTLFNDBSYUVAY-UHFFFAOYSA-N
Compound name
1,1-bis(2-hydroxyethyl)-3-octadecylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

166
Patents

400.3665 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.37378 209.2
[M+Na]+ 423.35572 212.0
[M+NH4]+ 418.40032 226.2
[M+K]+ 439.32966 205.3
[M-H]- 399.35922 206.6
[M+Na-2H]- 421.34117 206.4
[M]+ 400.36595 208.1
[M]- 400.36705 208.1
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