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]+ 428.11940 197.9
[M+Na]+ 450.10134 204.8
[M-H]- 426.10484 203.9
[M+NH4]+ 445.14594 209.2
[M+K]+ 466.07528 196.6
[M+H-H2O]+ 410.10938 189.7
[M+HCOO]- 472.11032 202.4
[M+CH3COO]- 486.12597 205.5
[M+Na-2H]- 448.08679 200.2
[M]+ 427.11157 197.9
[M]- 427.11267 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.