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]+ 329.258736 185.0
[M+Na]+ 351.240678 186.8
[M-H]- 327.244184 189.8
[M+NH4]+ 346.285283 197.7
[M+K]+ 367.214618 183.4
[M+H-H2O]+ 311.248720 175.6
[M+HCOO]- 373.249661 201.5
[M+CH3COO]- 387.265311 218.0
[M+Na-2H]- 349.226126 182.3
[M]+ 328.25091142 182.7
[M]- 328.25200858 182.7
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.