CID 10276451

Fauc-365

Structural Information

Molecular Formula
C23H25Cl2N3OS
SMILES
C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3S2)C4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
InChIKey
CPTSTFKVXWZGEV-UHFFFAOYSA-N
Compound name
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

10
Patents

461.10953 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.11681 207.4
[M+Na]+ 484.09875 222.4
[M+NH4]+ 479.14335 216.0
[M+K]+ 500.07269 211.4
[M-H]- 460.10225 213.6
[M+Na-2H]- 482.08420 214.9
[M]+ 461.10898 212.4
[M]- 461.11008 212.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe