CID 3046524

Brn 0567259

Structural Information

Molecular Formula
C18H17ClN2O2S
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=C(S(=O)(=O)C4=CC=CC=C43)Cl
InChI
InChI=1S/C18H17ClN2O2S/c19-18-17(15-8-4-5-9-16(15)24(18,22)23)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKey
JYNFOIFOCNTWAD-UHFFFAOYSA-N
Compound name
2-chloro-3-(4-phenylpiperazin-1-yl)-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.06992 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07720 179.2
[M+Na]+ 383.05914 195.2
[M+NH4]+ 378.10374 189.9
[M+K]+ 399.03308 183.9
[M-H]- 359.06264 185.0
[M+Na-2H]- 381.04459 189.0
[M]+ 360.06937 184.2
[M]- 360.07047 184.2
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.