CID 3008323

333795-22-5

Structural Information

Molecular Formula
C25H35N3O
SMILES
CCCNC(=O)N(CCCN1CCC(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H35N3O/c1-2-16-26-25(29)28(24-12-7-4-8-13-24)18-9-17-27-19-14-23(15-20-27)21-22-10-5-3-6-11-22/h3-8,10-13,23H,2,9,14-21H2,1H3,(H,26,29)
InChIKey
NKZFDBPADSHMRJ-UHFFFAOYSA-N
Compound name
1-[3-(4-benzylpiperidin-1-yl)propyl]-1-phenyl-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

393.278 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.28528 200.1
[M+Na]+ 416.26722 199.2
[M-H]- 392.27072 206.8
[M+NH4]+ 411.31182 208.6
[M+K]+ 432.24116 194.4
[M+H-H2O]+ 376.27526 187.9
[M+HCOO]- 438.27620 218.2
[M+CH3COO]- 452.29185 229.4
[M+Na-2H]- 414.25267 200.2
[M]+ 393.27745 196.5
[M]- 393.27855 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe