CID 3074076

N-(1-(3,4-dimethyl-3-pentenyl)-3-methyl-4-piperidinyl)-n-phenylpropanamide

Structural Information

Molecular Formula
C22H34N2O
SMILES
CCC(=O)N(C1CCN(CC1C)CCC(=C(C)C)C)C2=CC=CC=C2
InChI
InChI=1S/C22H34N2O/c1-6-22(25)24(20-10-8-7-9-11-20)21-13-15-23(16-19(21)5)14-12-18(4)17(2)3/h7-11,19,21H,6,12-16H2,1-5H3
InChIKey
DCTDSQSKICPHDB-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dimethylpent-3-enyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.26712 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.27440 189.0
[M+Na]+ 365.25634 190.1
[M-H]- 341.25984 193.7
[M+NH4]+ 360.30094 201.0
[M+K]+ 381.23028 187.0
[M+H-H2O]+ 325.26438 179.6
[M+HCOO]- 387.26532 204.2
[M+CH3COO]- 401.28097 221.9
[M+Na-2H]- 363.24179 184.6
[M]+ 342.26657 186.5
[M]- 342.26767 186.5
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.