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 181.4
[M+Na]+ 340.23592 181.0
[M-H]- 316.23942 187.0
[M+NH4]+ 335.28052 194.1
[M+K]+ 356.20986 180.1
[M+H-H2O]+ 300.24396 171.1
[M+HCOO]- 362.24490 199.8
[M+CH3COO]- 376.26055 218.9
[M+Na-2H]- 338.22137 180.8
[M]+ 317.24615 178.8
[M]- 317.24725 178.8
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.