CID 3074078

Propanamide, n-(1-(4-chloro-3-methyl-3-pentenyl)-3-methyl-4-piperidinyl)-n-phenyl-

Structural Information

Molecular Formula
C21H31ClN2O
SMILES
CCC(=O)N(C1CCN(CC1C)CC/C(=C(/C)\Cl)/C)C2=CC=CC=C2
InChI
InChI=1S/C21H31ClN2O/c1-5-21(25)24(19-9-7-6-8-10-19)20-12-14-23(15-17(20)3)13-11-16(2)18(4)22/h6-10,17,20H,5,11-15H2,1-4H3/b18-16-
InChIKey
DAUUSDZVHHGBMF-VLGSPTGOSA-N
Compound name
N-[1-[(Z)-4-chloro-3-methylpent-3-enyl]-3-methylpiperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2125 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.219776 190.9
[M+Na]+ 385.201718 193.2
[M-H]- 361.205224 195.6
[M+NH4]+ 380.246323 203.0
[M+K]+ 401.175658 188.5
[M+H-H2O]+ 345.209760 182.2
[M+HCOO]- 407.210701 201.9
[M+CH3COO]- 421.226351 222.4
[M+Na-2H]- 383.187166 186.6
[M]+ 362.21195142 190.3
[M]- 362.21304858 190.3
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.