CID 389583

Nsc685888

Structural Information

Molecular Formula
C20H17N5O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)N
InChI
InChI=1S/C20H17N5O2S/c21-14-7-6-8-15(13-14)22-19-20(24-18-12-5-4-11-17(18)23-19)25-28(26,27)16-9-2-1-3-10-16/h1-13H,21H2,(H,22,23)(H,24,25)
InChIKey
HHVNLSYOJFDIGD-UHFFFAOYSA-N
Compound name
N-[3-(3-aminoanilino)quinoxalin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1103 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11758 186.7
[M+Na]+ 414.09952 194.5
[M-H]- 390.10302 194.2
[M+NH4]+ 409.14412 195.1
[M+K]+ 430.07346 186.8
[M+H-H2O]+ 374.10756 176.4
[M+HCOO]- 436.10850 204.0
[M+CH3COO]- 450.12415 195.7
[M+Na-2H]- 412.08497 195.7
[M]+ 391.10975 186.3
[M]- 391.11085 186.3
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.