CID 6448850

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

Structural Information

Molecular Formula
C20H29ClN2O
SMILES
CCC(=O)N(C1CCN(CC1C)CC/C=C(/C)\Cl)C2=CC=CC=C2
InChI
InChI=1S/C20H29ClN2O/c1-4-20(24)23(18-10-6-5-7-11-18)19-12-14-22(15-16(19)2)13-8-9-17(3)21/h5-7,9-11,16,19H,4,8,12-15H2,1-3H3/b17-9-
InChIKey
IKFXOJSVDKIILX-MFOYZWKCSA-N
Compound name
N-[1-[(Z)-4-chloropent-3-enyl]-3-methylpiperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.19684 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20412 187.2
[M+Na]+ 371.18606 190.2
[M-H]- 347.18956 191.9
[M+NH4]+ 366.23066 199.9
[M+K]+ 387.16000 185.1
[M+H-H2O]+ 331.19410 178.4
[M+HCOO]- 393.19504 199.5
[M+CH3COO]- 407.21069 218.6
[M+Na-2H]- 369.17151 184.4
[M]+ 348.19629 186.8
[M]- 348.19739 186.8
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.