CID 3008919

Chembl292894

Structural Information

Molecular Formula
C30H35N3O
SMILES
CC1(CCN(CC1)C(=O)C2=CC=CC=C2)N3CCC(CC3)N(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H35N3O/c1-30(19-23-31(24-20-30)29(34)25-11-5-2-6-12-25)32-21-17-28(18-22-32)33(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,28H,17-24H2,1H3
InChIKey
FMYPVSDFWPESIY-UHFFFAOYSA-N
Compound name
[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

453.278 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.28528 214.6
[M+Na]+ 476.26722 213.5
[M-H]- 452.27072 225.1
[M+NH4]+ 471.31182 219.8
[M+K]+ 492.24116 207.3
[M+H-H2O]+ 436.27526 198.8
[M+HCOO]- 498.27620 226.2
[M+CH3COO]- 512.29185 219.0
[M+Na-2H]- 474.25267 213.2
[M]+ 453.27745 204.4
[M]- 453.27855 204.4
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.