CID 3073882

153781-53-4

Structural Information

Molecular Formula
C21H32N2O
SMILES
CCC(=O)N(C1CCN(CC1C)CCC=C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C21H32N2O/c1-5-21(24)23(19-11-7-6-8-12-19)20-13-15-22(16-18(20)4)14-9-10-17(2)3/h6-8,10-12,18,20H,5,9,13-16H2,1-4H3
InChIKey
OHWDJNXKJYQEIJ-UHFFFAOYSA-N
Compound name
N-[3-methyl-1-(4-methylpent-3-enyl)piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.25146 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.25874 184.9
[M+Na]+ 351.24068 195.0
[M+NH4]+ 346.28528 191.7
[M+K]+ 367.21462 187.7
[M-H]- 327.24418 188.6
[M+Na-2H]- 349.22613 189.8
[M]+ 328.25091 187.1
[M]- 328.25201 187.1
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.