CID 224574

4-amino-n-(3-methylquinoxalin-2-yl)benzenesulfonamide

Structural Information

Molecular Formula
C15H14N4O2S
SMILES
CC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H14N4O2S/c1-10-15(18-14-5-3-2-4-13(14)17-10)19-22(20,21)12-8-6-11(16)7-9-12/h2-9H,16H2,1H3,(H,18,19)
InChIKey
FSJDVWOGYWNVEU-UHFFFAOYSA-N
Compound name
4-amino-N-(3-methylquinoxalin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

314.08374 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09102 169.8
[M+Na]+ 337.07296 179.4
[M-H]- 313.07646 174.9
[M+NH4]+ 332.11756 182.4
[M+K]+ 353.04690 173.1
[M+H-H2O]+ 297.08100 161.2
[M+HCOO]- 359.08194 186.5
[M+CH3COO]- 373.09759 180.6
[M+Na-2H]- 335.05841 177.2
[M]+ 314.08319 171.0
[M]- 314.08429 171.0
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

patents stripe