CID 3070378

N-(4-chlorophenyl)-n'-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)urea

Structural Information

Molecular Formula
C18H28ClN3O2
SMILES
CC(C)COCC(CNC(=O)NC1=CC=C(C=C1)Cl)N2CCCC2
InChI
InChI=1S/C18H28ClN3O2/c1-14(2)12-24-13-17(22-9-3-4-10-22)11-20-18(23)21-16-7-5-15(19)6-8-16/h5-8,14,17H,3-4,9-13H2,1-2H3,(H2,20,21,23)
InChIKey
AXIQSFAQCCNKQL-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.187 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19428 187.7
[M+Na]+ 376.17622 189.7
[M-H]- 352.17972 191.6
[M+NH4]+ 371.22082 200.8
[M+K]+ 392.15016 185.5
[M+H-H2O]+ 336.18426 179.1
[M+HCOO]- 398.18520 202.5
[M+CH3COO]- 412.20085 216.4
[M+Na-2H]- 374.16167 185.4
[M]+ 353.18645 187.9
[M]- 353.18755 187.9
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.