CID 508772

Benzo[b]thiophene-2-carboxamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-methyl-2-oxoethyl]-

Structural Information

Molecular Formula
C25H28ClN3O2S
SMILES
CC(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4S3
InChI
InChI=1S/C25H28ClN3O2S/c1-17(28-25(31)23-14-20-4-2-3-5-22(20)32-23)24(30)27-15-18-10-12-29(13-11-18)16-19-6-8-21(26)9-7-19/h2-9,14,17-18H,10-13,15-16H2,1H3,(H,27,30)(H,28,31)
InChIKey
JOOWNJNLEHRQIY-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.1591 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.16638 210.6
[M+Na]+ 492.14832 214.3
[M-H]- 468.15182 218.7
[M+NH4]+ 487.19292 220.4
[M+K]+ 508.12226 207.3
[M+H-H2O]+ 452.15636 202.0
[M+HCOO]- 514.15730 219.4
[M+CH3COO]- 528.17295 217.5
[M+Na-2H]- 490.13377 207.9
[M]+ 469.15855 212.6
[M]- 469.15965 212.6
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.