CID 11256720

Intepirdine

Structural Information

Molecular Formula
C19H19N3O2S
SMILES
C1CN(CCN1)C2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
InChIKey
JJZFWROHYSMCMU-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

607
Patents

353.1198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12708 179.4
[M+Na]+ 376.10902 194.3
[M+NH4]+ 371.15362 187.1
[M+K]+ 392.08296 184.7
[M-H]- 352.11252 184.0
[M+Na-2H]- 374.09447 188.8
[M]+ 353.11925 183.4
[M]- 353.12035 183.4
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