CID 3074078

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

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]+ 363.21978 190.9
[M+Na]+ 385.20172 193.2
[M-H]- 361.20522 195.6
[M+NH4]+ 380.24632 203.0
[M+K]+ 401.17566 188.5
[M+H-H2O]+ 345.20976 182.2
[M+HCOO]- 407.21070 201.9
[M+CH3COO]- 421.22635 222.4
[M+Na-2H]- 383.18717 186.6
[M]+ 362.21195 190.3
[M]- 362.21305 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.