CID 11858343

2-[1-[2-(o-tolyl)ethyl]-3-piperidyl]-2,2-diphenyl-acetamide

Structural Information

Molecular Formula
C28H32N2O
SMILES
CC1=CC=CC=C1CCN2CCCC(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C28H32N2O/c1-22-11-8-9-12-23(22)18-20-30-19-10-17-26(21-30)28(27(29)31,24-13-4-2-5-14-24)25-15-6-3-7-16-25/h2-9,11-16,26H,10,17-21H2,1H3,(H2,29,31)
InChIKey
MGHLAAREHFQMGB-UHFFFAOYSA-N
Compound name
2-[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

412.25146 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25874 204.1
[M+Na]+ 435.24068 205.0
[M-H]- 411.24418 212.5
[M+NH4]+ 430.28528 210.8
[M+K]+ 451.21462 197.9
[M+H-H2O]+ 395.24872 191.9
[M+HCOO]- 457.24966 218.4
[M+CH3COO]- 471.26531 210.2
[M+Na-2H]- 433.22613 204.3
[M]+ 412.25091 197.2
[M]- 412.25201 197.2
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