CID 3013679

Schembl4775510

Structural Information

Molecular Formula
C29H39N3O2
SMILES
CC(=O)N1CCCC(C1)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H39N3O2/c1-24(33)31-18-8-12-27(23-31)29(34)32(28-13-6-3-7-14-28)19-9-17-30-20-15-26(16-21-30)22-25-10-4-2-5-11-25/h2-7,10-11,13-14,26-27H,8-9,12,15-23H2,1H3
InChIKey
KFGBXLLLMOKTTM-UHFFFAOYSA-N
Compound name
1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

461.30423 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.31151 216.8
[M+Na]+ 484.29345 213.7
[M-H]- 460.29695 224.0
[M+NH4]+ 479.33805 220.3
[M+K]+ 500.26739 208.5
[M+H-H2O]+ 444.30149 202.5
[M+HCOO]- 506.30243 227.1
[M+CH3COO]- 520.31808 239.2
[M+Na-2H]- 482.27890 212.0
[M]+ 461.30368 208.9
[M]- 461.30478 208.9
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

No patent data available for this compound.