CID 3008332

3-(4-bromophenyl)-1-[3-[4-[(4-fluorophenyl)methyl]-1-piperidyl]propyl]-1-phenyl-urea

Structural Information

Molecular Formula
C28H31BrFN3O
SMILES
C1CN(CCC1CC2=CC=C(C=C2)F)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Br
InChI
InChI=1S/C28H31BrFN3O/c29-24-9-13-26(14-10-24)31-28(34)33(27-5-2-1-3-6-27)18-4-17-32-19-15-23(16-20-32)21-22-7-11-25(30)12-8-22/h1-3,5-14,23H,4,15-21H2,(H,31,34)
InChIKey
MAYRBVRNRCTUBN-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

523.16345 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.17073 223.0
[M+Na]+ 546.15267 225.9
[M-H]- 522.15617 233.5
[M+NH4]+ 541.19727 230.0
[M+K]+ 562.12661 212.5
[M+H-H2O]+ 506.16071 215.7
[M+HCOO]- 568.16165 237.5
[M+CH3COO]- 582.17730 229.7
[M+Na-2H]- 544.13812 222.3
[M]+ 523.16290 235.9
[M]- 523.16400 235.9
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.