CID 653087

2-[3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-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

literature stripe

Patent stripe

patents stripe