CID 3046652

1-piperazineethanol, 4-(2-chloro-3-benzo(b)thienyl)-, s,s-dioxide

Structural Information

Molecular Formula
C14H17ClN2O3S
SMILES
C1CN(CCN1CCO)C2=C(S(=O)(=O)C3=CC=CC=C32)Cl
InChI
InChI=1S/C14H17ClN2O3S/c15-14-13(17-7-5-16(6-8-17)9-10-18)11-3-1-2-4-12(11)21(14,19)20/h1-4,18H,5-10H2
InChIKey
CKUGMKUDQZJLPD-UHFFFAOYSA-N
Compound name
2-[4-(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.06485 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07213 170.9
[M+Na]+ 351.05407 183.5
[M+NH4]+ 346.09867 180.0
[M+K]+ 367.02801 174.5
[M-H]- 327.05757 172.8
[M+Na-2H]- 349.03952 176.5
[M]+ 328.06430 174.0
[M]- 328.06540 174.0
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.