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 184.9
[M-H]- 353.12552 182.3
[M+NH4]+ 372.16662 188.5
[M+K]+ 393.09596 174.9
[M+H-H2O]+ 337.13006 175.2
[M+HCOO]- 399.13100 195.9
[M+CH3COO]- 413.14665 207.8
[M+Na-2H]- 375.10747 184.6
[M]+ 354.13225 174.4
[M]- 354.13335 174.4
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.