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 181.4
[M+Na]+ 383.05914 192.1
[M-H]- 359.06264 189.7
[M+NH4]+ 378.10374 197.6
[M+K]+ 399.03308 184.9
[M+H-H2O]+ 343.06718 173.1
[M+HCOO]- 405.06812 190.9
[M+CH3COO]- 419.08377 192.2
[M+Na-2H]- 381.04459 182.1
[M]+ 360.06937 183.6
[M]- 360.07047 183.6
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.