CID 3024567

1,1-diethyl-3-phenyl-3-(2-piperidinopropyl)urea

Structural Information

Molecular Formula
C19H31N3O
SMILES
CCN(CC)C(=O)N(CC(C)N1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C19H31N3O/c1-4-20(5-2)19(23)22(18-12-8-6-9-13-18)16-17(3)21-14-10-7-11-15-21/h6,8-9,12-13,17H,4-5,7,10-11,14-16H2,1-3H3
InChIKey
HMPFOCDWHBWJFS-UHFFFAOYSA-N
Compound name
1,1-diethyl-3-phenyl-3-(2-piperidin-1-ylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.2467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.25398 180.6
[M+Na]+ 340.23592 189.2
[M+NH4]+ 335.28052 187.7
[M+K]+ 356.20986 183.0
[M-H]- 316.23942 185.0
[M+Na-2H]- 338.22137 186.5
[M]+ 317.24615 182.7
[M]- 317.24725 182.7
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.