CID 2898267

2445786-19-4

Structural Information

Molecular Formula
C22H22ClN3O2S
SMILES
C1CN(CCN1)C2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H22ClN3O2S/c23-16-7-9-17(10-8-16)29(27,28)25-21-18-5-1-3-15-4-2-6-19(20(15)18)22(21)26-13-11-24-12-14-26/h1-10,21-22,24-25H,11-14H2
InChIKey
IRCARNCHRGIKND-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-piperazin-1-yl-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

427.11212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.11940 195.7
[M+Na]+ 450.10134 209.5
[M+NH4]+ 445.14594 204.3
[M+K]+ 466.07528 200.7
[M-H]- 426.10484 201.0
[M+Na-2H]- 448.08679 202.4
[M]+ 427.11157 199.9
[M]- 427.11267 199.9
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.