CID 508752

2-thiophenecarboxamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-

Structural Information

Molecular Formula
C20H24ClN3O2S
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC=CS2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClN3O2S/c21-17-5-3-16(4-6-17)14-24-9-7-15(8-10-24)12-22-19(25)13-23-20(26)18-2-1-11-27-18/h1-6,11,15H,7-10,12-14H2,(H,22,25)(H,23,26)
InChIKey
FJSDLTGDGWKDDX-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12778 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13506 195.4
[M+Na]+ 428.11700 198.6
[M-H]- 404.12050 202.6
[M+NH4]+ 423.16160 206.8
[M+K]+ 444.09094 192.1
[M+H-H2O]+ 388.12504 186.9
[M+HCOO]- 450.12598 205.7
[M+CH3COO]- 464.14163 221.6
[M+Na-2H]- 426.10245 192.3
[M]+ 405.12723 195.3
[M]- 405.12833 195.3
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.