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]+ 355.140076 180.1
[M+Na]+ 377.122018 184.9
[M-H]- 353.125524 182.3
[M+NH4]+ 372.166623 188.5
[M+K]+ 393.095958 174.9
[M+H-H2O]+ 337.130060 175.2
[M+HCOO]- 399.131001 195.9
[M+CH3COO]- 413.146651 207.8
[M+Na-2H]- 375.107466 184.6
[M]+ 354.13225142 174.4
[M]- 354.13334858 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.