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

169
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 210.9
[M+Na]+ 423.35572 208.5
[M-H]- 399.35922 206.4
[M+NH4]+ 418.40032 225.6
[M+K]+ 439.32966 205.0
[M+H-H2O]+ 383.36376 202.1
[M+HCOO]- 445.36470 232.6
[M+CH3COO]- 459.38035 230.6
[M+Na-2H]- 421.34117 206.6
[M]+ 400.36595 217.1
[M]- 400.36705 217.1
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