CID 3070395

N-(3-chlorophenyl)-n'-(2-(diethylamino)-3-propoxypropyl)urea

Structural Information

Molecular Formula
C17H28ClN3O2
SMILES
CCCOCC(CNC(=O)NC1=CC(=CC=C1)Cl)N(CC)CC
InChI
InChI=1S/C17H28ClN3O2/c1-4-10-23-13-16(21(5-2)6-3)12-19-17(22)20-15-9-7-8-14(18)11-15/h7-9,11,16H,4-6,10,12-13H2,1-3H3,(H2,19,20,22)
InChIKey
WDFWBZHPCRYEIK-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[2-(diethylamino)-3-propoxypropyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.187 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19428 185.9
[M+Na]+ 364.17622 188.9
[M-H]- 340.17972 189.6
[M+NH4]+ 359.22082 199.9
[M+K]+ 380.15016 185.9
[M+H-H2O]+ 324.18426 178.2
[M+HCOO]- 386.18520 205.5
[M+CH3COO]- 400.20085 222.1
[M+Na-2H]- 362.16167 186.2
[M]+ 341.18645 190.9
[M]- 341.18755 190.9
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.