CID 11858342

2-[1-(2-cyclohexylethyl)-3-piperidyl]-2,2-diphenyl-acetamide

Structural Information

Molecular Formula
C27H36N2O
SMILES
C1CCC(CC1)CCN2CCCC(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C27H36N2O/c28-26(30)27(23-13-6-2-7-14-23,24-15-8-3-9-16-24)25-17-10-19-29(21-25)20-18-22-11-4-1-5-12-22/h2-3,6-9,13-16,22,25H,1,4-5,10-12,17-21H2,(H2,28,30)
InChIKey
KMVAUPKGLWILDS-UHFFFAOYSA-N
Compound name
2-[1-(2-cyclohexylethyl)piperidin-3-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.28278 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.29006 201.2
[M+Na]+ 427.27200 198.6
[M-H]- 403.27550 208.1
[M+NH4]+ 422.31660 207.7
[M+K]+ 443.24594 192.2
[M+H-H2O]+ 387.28004 189.0
[M+HCOO]- 449.28098 211.6
[M+CH3COO]- 463.29663 225.4
[M+Na-2H]- 425.25745 199.7
[M]+ 404.28223 189.3
[M]- 404.28333 189.3
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

No patent data available for this compound.