CID 2898267

4-chloro-n-[2-(piperazin-1-yl)-1,2-dihydroacenaphthylen-1-yl]benzene-1-sulfonamide dihydrochloride

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]+ 428.119396 197.9
[M+Na]+ 450.101338 204.8
[M-H]- 426.104844 203.9
[M+NH4]+ 445.145943 209.2
[M+K]+ 466.075278 196.6
[M+H-H2O]+ 410.109380 189.7
[M+HCOO]- 472.110321 202.4
[M+CH3COO]- 486.125971 205.5
[M+Na-2H]- 448.086786 200.2
[M]+ 427.11157142 197.9
[M]- 427.11266858 197.9
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.