CID 389573

Nsc685880

Structural Information

Molecular Formula
C20H22N4O2S
SMILES
C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H22N4O2S/c25-27(26,16-10-4-3-5-11-16)23-19-20(24-14-8-1-2-9-15-24)22-18-13-7-6-12-17(18)21-19/h3-7,10-13H,1-2,8-9,14-15H2,(H,21,23)
InChIKey
NLYBSDNKLFTAMV-UHFFFAOYSA-N
Compound name
N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.14636 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15364 193.0
[M+Na]+ 405.13558 197.5
[M-H]- 381.13908 199.4
[M+NH4]+ 400.18018 200.3
[M+K]+ 421.10952 195.9
[M+H-H2O]+ 365.14362 182.2
[M+HCOO]- 427.14456 203.2
[M+CH3COO]- 441.16021 200.0
[M+Na-2H]- 403.12103 197.3
[M]+ 382.14581 187.6
[M]- 382.14691 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.