CID 508838

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

Structural Information

Molecular Formula
C20H23BrClN3O2S
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=CS2)Br)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H23BrClN3O2S/c21-16-9-18(28-13-16)20(27)24-11-19(26)23-10-14-5-7-25(8-6-14)12-15-1-3-17(22)4-2-15/h1-4,9,13-14H,5-8,10-12H2,(H,23,26)(H,24,27)
InChIKey
BFIBNQSJUAAFTN-UHFFFAOYSA-N
Compound name
4-bromo-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

483.0383 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.04558 197.9
[M+Na]+ 506.02752 205.1
[M-H]- 482.03102 207.6
[M+NH4]+ 501.07212 210.6
[M+K]+ 522.00146 190.4
[M+H-H2O]+ 466.03556 195.8
[M+HCOO]- 528.03650 206.4
[M+CH3COO]- 542.05215 229.7
[M+Na-2H]- 504.01297 196.2
[M]+ 483.03775 216.7
[M]- 483.03885 216.7
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.