CID 3008921

Chembl433635

Structural Information

Molecular Formula
C30H41N3O
SMILES
CC1(CCN(CC1)C(=O)C2CCCCC2)N3CCC(CC3)N(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H41N3O/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/h3-4,7-10,13-16,25,28H,2,5-6,11-12,17-24H2,1H3
InChIKey
UYDAMKBCPBYUNY-UHFFFAOYSA-N
Compound name
cyclohexyl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

459.32495 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.33223 216.9
[M+Na]+ 482.31417 212.7
[M-H]- 458.31767 226.1
[M+NH4]+ 477.35877 221.7
[M+K]+ 498.28811 207.2
[M+H-H2O]+ 442.32221 201.1
[M+HCOO]- 504.32315 224.3
[M+CH3COO]- 518.33880 219.7
[M+Na-2H]- 480.29962 212.4
[M]+ 459.32440 202.5
[M]- 459.32550 202.5
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.