CID 3008336

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

Structural Information

Molecular Formula
C29H31FN4O
SMILES
C1CN(CCC1CC2=CC=C(C=C2)F)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C#N
InChI
InChI=1S/C29H31FN4O/c30-26-11-7-23(8-12-26)21-24-15-19-33(20-16-24)17-4-18-34(28-5-2-1-3-6-28)29(35)32-27-13-9-25(22-31)10-14-27/h1-3,5-14,24H,4,15-21H2,(H,32,35)
InChIKey
LEEUZUAPRJVDSQ-UHFFFAOYSA-N
Compound name
3-(4-cyanophenyl)-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

470.2482 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.25548 218.6
[M+Na]+ 493.23742 222.2
[M-H]- 469.24092 224.1
[M+NH4]+ 488.28202 222.4
[M+K]+ 509.21136 212.4
[M+H-H2O]+ 453.24546 198.4
[M+HCOO]- 515.24640 231.5
[M+CH3COO]- 529.26205 222.2
[M+Na-2H]- 491.22287 216.2
[M]+ 470.24765 208.0
[M]- 470.24875 208.0
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.