CID 3008343

333795-25-8

Structural Information

Molecular Formula
C29H34ClN3O
SMILES
CC1=CC=C(C=C1)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H34ClN3O/c1-23-8-14-28(15-9-23)33(29(34)31-27-12-10-26(30)11-13-27)19-5-18-32-20-16-25(17-21-32)22-24-6-3-2-4-7-24/h2-4,6-15,25H,5,16-22H2,1H3,(H,31,34)
InChIKey
OITVTVHSBLRSGS-UHFFFAOYSA-N
Compound name
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(4-chlorophenyl)-1-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

475.23904 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.24632 219.7
[M+Na]+ 498.22826 220.8
[M-H]- 474.23176 229.5
[M+NH4]+ 493.27286 225.6
[M+K]+ 514.20220 213.3
[M+H-H2O]+ 458.23630 206.6
[M+HCOO]- 520.23724 232.9
[M+CH3COO]- 534.25289 225.3
[M+Na-2H]- 496.21371 218.1
[M]+ 475.23849 218.1
[M]- 475.23959 218.1
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

patents stripe