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 193.9
[M+Na]+ 367.29312 193.7
[M-H]- 343.29662 191.7
[M+NH4]+ 362.33772 206.7
[M+K]+ 383.26706 192.0
[M+H-H2O]+ 327.30116 185.7
[M+HCOO]- 389.30210 214.4
[M+CH3COO]- 403.31775 221.4
[M+Na-2H]- 365.27857 192.1
[M]+ 344.30335 200.6
[M]- 344.30445 200.6
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.