CID 377634

1-(2,2-diethoxyethyl)-3-dodecylurea

Structural Information

Molecular Formula
C19H40N2O3
SMILES
CCCCCCCCCCCCNC(=O)NCC(OCC)OCC
InChI
InChI=1S/C19H40N2O3/c1-4-7-8-9-10-11-12-13-14-15-16-20-19(22)21-17-18(23-5-2)24-6-3/h18H,4-17H2,1-3H3,(H2,20,21,22)
InChIKey
QACMUCLEWICCOW-UHFFFAOYSA-N
Compound name
1-(2,2-diethoxyethyl)-3-dodecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.3039 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.31118 191.8
[M+Na]+ 367.29312 196.0
[M+NH4]+ 362.33772 195.6
[M+K]+ 383.26706 189.9
[M-H]- 343.29662 190.0
[M+Na-2H]- 365.27857 190.6
[M]+ 344.30335 191.2
[M]- 344.30445 191.2
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.