CID 2867478

N-(4-bromophenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

Structural Information

Molecular Formula
C16H14BrN3O2
SMILES
C1=CC=C2C(=C1)NC(C(=O)N2)CC(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C16H14BrN3O2/c17-10-5-7-11(8-6-10)18-15(21)9-14-16(22)20-13-4-2-1-3-12(13)19-14/h1-8,14,19H,9H2,(H,18,21)(H,20,22)
InChIKey
BYQNXRCCTGRKKZ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

359.02695 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03423 173.3
[M+Na]+ 382.01617 181.8
[M-H]- 358.01967 177.5
[M+NH4]+ 377.06077 186.1
[M+K]+ 397.99011 167.7
[M+H-H2O]+ 342.02421 170.8
[M+HCOO]- 404.02515 186.8
[M+CH3COO]- 418.04080 183.6
[M+Na-2H]- 380.00162 178.7
[M]+ 359.02640 186.5
[M]- 359.02750 186.5
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

No patent data available for this compound.