CID 4064342

3-(1-benzylpiperidin-4-yl)-1-phenylurea

Structural Information

Molecular Formula
C19H23N3O
SMILES
C1CN(CCC1NC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H23N3O/c23-19(20-17-9-5-2-6-10-17)21-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,20,21,23)
InChIKey
FBRUCPZAISLOOV-UHFFFAOYSA-N
Compound name
1-(1-benzylpiperidin-4-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

17
Patents

309.1841 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 173.1
[M+Na]+ 332.17332 175.0
[M-H]- 308.17682 179.8
[M+NH4]+ 327.21792 184.7
[M+K]+ 348.14726 170.0
[M+H-H2O]+ 292.18136 162.5
[M+HCOO]- 354.18230 193.0
[M+CH3COO]- 368.19795 181.8
[M+Na-2H]- 330.15877 177.3
[M]+ 309.18355 166.4
[M]- 309.18465 166.4
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.