CID 2876556

2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-n-(4-nitrophenyl)acetamide

Structural Information

Molecular Formula
C18H18N4O4
SMILES
CC1=CC2=C(C=C1C)NC(=O)C(N2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H18N4O4/c1-10-7-14-15(8-11(10)2)21-18(24)16(20-14)9-17(23)19-12-3-5-13(6-4-12)22(25)26/h3-8,16,20H,9H2,1-2H3,(H,19,23)(H,21,24)
InChIKey
LCYXUFMXQYWZEG-UHFFFAOYSA-N
Compound name
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

354.1328 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14008 180.1
[M+Na]+ 377.12202 192.4
[M+NH4]+ 372.16662 185.2
[M+K]+ 393.09596 189.5
[M-H]- 353.12552 183.4
[M+Na-2H]- 375.10747 184.2
[M]+ 354.13225 182.3
[M]- 354.13335 182.3
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.