CID 3010465

333795-28-1

Structural Information

Molecular Formula
C32H35N3O
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C32H35N3O/c36-32(33-31-18-9-14-28-13-7-8-17-30(28)31)35(29-15-5-2-6-16-29)22-10-21-34-23-19-27(20-24-34)25-26-11-3-1-4-12-26/h1-9,11-18,27H,10,19-25H2,(H,33,36)
InChIKey
KVYUKMYAXKZQOD-UHFFFAOYSA-N
Compound name
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-naphthalen-1-yl-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

477.278 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.28528 217.8
[M+Na]+ 500.26722 216.8
[M-H]- 476.27072 227.6
[M+NH4]+ 495.31182 222.7
[M+K]+ 516.24116 209.6
[M+H-H2O]+ 460.27526 203.3
[M+HCOO]- 522.27620 233.7
[M+CH3COO]- 536.29185 222.6
[M+Na-2H]- 498.25267 219.1
[M]+ 477.27745 212.3
[M]- 477.27855 212.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe