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 185.0
[M+Na]+ 351.24068 186.8
[M-H]- 327.24418 189.8
[M+NH4]+ 346.28528 197.7
[M+K]+ 367.21462 183.4
[M+H-H2O]+ 311.24872 175.6
[M+HCOO]- 373.24966 201.5
[M+CH3COO]- 387.26531 218.0
[M+Na-2H]- 349.22613 182.3
[M]+ 328.25091 182.7
[M]- 328.25201 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.