CID 2823689

7-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinoline

Structural Information

Molecular Formula
C14H16ClN3O2S
SMILES
CS(=O)(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C14H16ClN3O2S/c1-21(19,20)18-8-6-17(7-9-18)14-4-5-16-13-10-11(15)2-3-12(13)14/h2-5,10H,6-9H2,1H3
InChIKey
IYTUJCPWVORWDU-UHFFFAOYSA-N
Compound name
7-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

325.0652 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.07248 171.7
[M+Na]+ 348.05442 180.9
[M-H]- 324.05792 174.9
[M+NH4]+ 343.09902 184.1
[M+K]+ 364.02836 174.8
[M+H-H2O]+ 308.06246 163.4
[M+HCOO]- 370.06340 177.1
[M+CH3COO]- 384.07905 181.5
[M+Na-2H]- 346.03987 175.4
[M]+ 325.06465 173.1
[M]- 325.06575 173.1
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

No patent data available for this compound.