CID 389566

Nsc685873

Structural Information

Molecular Formula
C21H18N4O2S
SMILES
CC1=CC=CC=C1NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H18N4O2S/c1-15-9-5-6-12-17(15)22-20-21(24-19-14-8-7-13-18(19)23-20)25-28(26,27)16-10-3-2-4-11-16/h2-14H,1H3,(H,22,23)(H,24,25)
InChIKey
KMRIBBFVESYISD-UHFFFAOYSA-N
Compound name
N-[3-(2-methylanilino)quinoxalin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

390.11505 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12233 189.7
[M+Na]+ 413.10427 197.8
[M-H]- 389.10777 197.6
[M+NH4]+ 408.14887 198.7
[M+K]+ 429.07821 190.2
[M+H-H2O]+ 373.11231 179.1
[M+HCOO]- 435.11325 206.2
[M+CH3COO]- 449.12890 198.9
[M+Na-2H]- 411.08972 197.9
[M]+ 390.11450 191.0
[M]- 390.11560 191.0
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

patents stripe