CID 3024949

N-(3-methyl-1-(2-(4-thiazolyl)ethyl)-4-piperidinyl)-n-phenylpropanamide

Structural Information

Molecular Formula
C20H27N3OS
SMILES
CCC(=O)N(C1CCN(CC1C)CCC2=CSC=N2)C3=CC=CC=C3
InChI
InChI=1S/C20H27N3OS/c1-3-20(24)23(18-7-5-4-6-8-18)19-10-12-22(13-16(19)2)11-9-17-14-25-15-21-17/h4-8,14-16,19H,3,9-13H2,1-2H3
InChIKey
CABCXKKEYBMKPB-UHFFFAOYSA-N
Compound name
N-[3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.18747 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19475 186.9
[M+Na]+ 380.17669 190.8
[M-H]- 356.18019 194.3
[M+NH4]+ 375.22129 199.3
[M+K]+ 396.15063 186.4
[M+H-H2O]+ 340.18473 176.9
[M+HCOO]- 402.18567 200.6
[M+CH3COO]- 416.20132 217.4
[M+Na-2H]- 378.16214 183.4
[M]+ 357.18692 186.9
[M]- 357.18802 186.9
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.