CID 3070390

N-(4-chlorophenyl)-n'-(3-ethoxy-2-(4-morpholinyl)propyl)urea

Structural Information

Molecular Formula
C16H24ClN3O3
SMILES
CCOCC(CNC(=O)NC1=CC=C(C=C1)Cl)N2CCOCC2
InChI
InChI=1S/C16H24ClN3O3/c1-2-22-12-15(20-7-9-23-10-8-20)11-18-16(21)19-14-5-3-13(17)4-6-14/h3-6,15H,2,7-12H2,1H3,(H2,18,19,21)
InChIKey
OICMZFRKMZWKTB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(3-ethoxy-2-morpholin-4-ylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1506 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.157876 181.4
[M+Na]+ 364.139818 183.7
[M-H]- 340.143324 185.6
[M+NH4]+ 359.184423 191.7
[M+K]+ 380.113758 181.0
[M+H-H2O]+ 324.147860 172.4
[M+HCOO]- 386.148801 194.9
[M+CH3COO]- 400.164451 212.4
[M+Na-2H]- 362.125266 183.5
[M]+ 341.15005142 181.4
[M]- 341.15114858 181.4
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.