CID 404442

Chembl339347

Structural Information

Molecular Formula
C21H15Cl2N3O2S2
SMILES
CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H15Cl2N3O2S2/c1-12-10-19(18(29)11-15(12)23)30(27,28)26-21-20(13-6-8-14(22)9-7-13)24-16-4-2-3-5-17(16)25-21/h2-11,29H,1H3,(H,25,26)
InChIKey
LPXHZSBXBCYGMB-UHFFFAOYSA-N
Compound name
4-chloro-N-[3-(4-chlorophenyl)quinoxalin-2-yl]-5-methyl-2-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.99826 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.00554 202.7
[M+Na]+ 497.98748 214.5
[M-H]- 473.99098 210.6
[M+NH4]+ 493.03208 211.3
[M+K]+ 513.96142 205.1
[M+H-H2O]+ 457.99552 194.9
[M+HCOO]- 519.99646 203.7
[M+CH3COO]- 534.01211 211.3
[M+Na-2H]- 495.97293 205.9
[M]+ 474.99771 210.2
[M]- 474.99881 210.2
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.