CID 3078860

Brn 3632068

Structural Information

Molecular Formula
C28H32N2O
SMILES
CC1CC(C(CN1CCC2=CC=CC=C2)C)N(C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H32N2O/c1-22-21-29(19-18-24-12-6-3-7-13-24)23(2)20-27(22)30(26-16-10-5-11-17-26)28(31)25-14-8-4-9-15-25/h3-17,22-23,27H,18-21H2,1-2H3
InChIKey
TZZFAPDFPWQDID-UHFFFAOYSA-N
Compound name
N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.25146 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25874 205.2
[M+Na]+ 435.24068 206.8
[M-H]- 411.24418 215.6
[M+NH4]+ 430.28528 213.0
[M+K]+ 451.21462 200.7
[M+H-H2O]+ 395.24872 192.2
[M+HCOO]- 457.24966 222.1
[M+CH3COO]- 471.26531 212.2
[M+Na-2H]- 433.22613 203.8
[M]+ 412.25091 201.1
[M]- 412.25201 201.1
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.