CID 389568

Nsc685875

Structural Information

Molecular Formula
C21H19N5O2S
SMILES
CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C21H19N5O2S/c1-14-5-4-6-16(13-14)23-20-21(25-19-8-3-2-7-18(19)24-20)26-29(27,28)17-11-9-15(22)10-12-17/h2-13H,22H2,1H3,(H,23,24)(H,25,26)
InChIKey
GGIAHEUYQBDTAI-UHFFFAOYSA-N
Compound name
4-amino-N-[3-(3-methylanilino)quinoxalin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12595 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13323 192.7
[M+Na]+ 428.11517 200.7
[M-H]- 404.11867 200.3
[M+NH4]+ 423.15977 200.7
[M+K]+ 444.08911 192.9
[M+H-H2O]+ 388.12321 182.2
[M+HCOO]- 450.12415 209.5
[M+CH3COO]- 464.13980 201.4
[M+Na-2H]- 426.10062 200.3
[M]+ 405.12540 192.9
[M]- 405.12650 192.9
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.