CID 653087

2-(3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-4h-quinoxalin-2-yl)-n-phenyl-acetamide

Structural Information

Molecular Formula
C23H21N3O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C(C(=O)NC3=CC=CC=C32)CC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H21N3O4S/c1-16-11-13-18(14-12-16)31(29,30)26-20-10-6-5-9-19(20)25-23(28)21(26)15-22(27)24-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,24,27)(H,25,28)
InChIKey
MDXLDKCBVRAXLR-UHFFFAOYSA-N
Compound name
2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

435.12527 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.13255 201.6
[M+Na]+ 458.11449 207.5
[M-H]- 434.11799 207.5
[M+NH4]+ 453.15909 207.9
[M+K]+ 474.08843 200.4
[M+H-H2O]+ 418.12253 191.3
[M+HCOO]- 480.12347 211.7
[M+CH3COO]- 494.13912 226.2
[M+Na-2H]- 456.09994 204.6
[M]+ 435.12472 200.9
[M]- 435.12582 200.9
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.