CID 3008324

1-[3-(4-benzyl-1-piperidyl)propyl]-3-methyl-1,3-diphenyl-urea

Structural Information

Molecular Formula
C29H35N3O
SMILES
CN(C1=CC=CC=C1)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H35N3O/c1-30(27-14-7-3-8-15-27)29(33)32(28-16-9-4-10-17-28)21-11-20-31-22-18-26(19-23-31)24-25-12-5-2-6-13-25/h2-10,12-17,26H,11,18-24H2,1H3
InChIKey
NOAQRDOYHJOYPC-UHFFFAOYSA-N
Compound name
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-methyl-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.278 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.28528 211.3
[M+Na]+ 464.26722 209.8
[M-H]- 440.27072 221.9
[M+NH4]+ 459.31182 217.5
[M+K]+ 480.24116 204.9
[M+H-H2O]+ 424.27526 197.3
[M+HCOO]- 486.27620 229.4
[M+CH3COO]- 500.29185 240.1
[M+Na-2H]- 462.25267 211.0
[M]+ 441.27745 207.2
[M]- 441.27855 207.2
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

No patent data available for this compound.