CID 3008340

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

Structural Information

Molecular Formula
C29H34FN3O2
SMILES
COC1=CC=C(C=C1)NC(=O)N(CCCN2CCC(CC2)CC3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C29H34FN3O2/c1-35-28-14-12-26(13-15-28)31-29(34)33(27-6-3-2-4-7-27)19-5-18-32-20-16-24(17-21-32)22-23-8-10-25(30)11-9-23/h2-4,6-15,24H,5,16-22H2,1H3,(H,31,34)
InChIKey
MYZWTXQLUJQNEY-UHFFFAOYSA-N
Compound name
1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(4-methoxyphenyl)-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

475.26352 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.27080 218.5
[M+Na]+ 498.25274 218.6
[M-H]- 474.25624 227.1
[M+NH4]+ 493.29734 223.2
[M+K]+ 514.22668 212.8
[M+H-H2O]+ 458.26078 203.8
[M+HCOO]- 520.26172 235.2
[M+CH3COO]- 534.27737 244.1
[M+Na-2H]- 496.23819 216.9
[M]+ 475.26297 214.5
[M]- 475.26407 214.5
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

No patent data available for this compound.