CID 3008333

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

Structural Information

Molecular Formula
C29H34FN3O
SMILES
CC1=CC=C(C=C1)NC(=O)N(CCCN2CCC(CC2)CC3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C29H34FN3O/c1-23-8-14-27(15-9-23)31-29(34)33(28-6-3-2-4-7-28)19-5-18-32-20-16-25(17-21-32)22-24-10-12-26(30)13-11-24/h2-4,6-15,25H,5,16-22H2,1H3,(H,31,34)
InChIKey
ZIJWEMNQPJEEPG-UHFFFAOYSA-N
Compound name
1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

459.2686 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.27588 215.7
[M+Na]+ 482.25782 216.1
[M-H]- 458.26132 224.4
[M+NH4]+ 477.30242 221.2
[M+K]+ 498.23176 209.5
[M+H-H2O]+ 442.26586 201.3
[M+HCOO]- 504.26680 232.3
[M+CH3COO]- 518.28245 242.0
[M+Na-2H]- 480.24327 214.0
[M]+ 459.26805 210.4
[M]- 459.26915 210.4
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.