CID 49768613

Ethyl [3-(4-methoxyphenyl)-1,4-dioxidoquinoxalin-2-yl]acetate

Structural Information

Molecular Formula
C19H18N2O5
SMILES
CCOC(=O)CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H18N2O5/c1-3-26-18(22)12-17-19(13-8-10-14(25-2)11-9-13)21(24)16-7-5-4-6-15(16)20(17)23/h4-11H,3,12H2,1-2H3
InChIKey
KOHNWADIOHAWPU-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(4-methoxyphenyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.12158 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.128856 183.6
[M+Na]+ 377.110798 191.9
[M-H]- 353.114304 187.8
[M+NH4]+ 372.155403 193.6
[M+K]+ 393.084738 182.9
[M+H-H2O]+ 337.118840 177.9
[M+HCOO]- 399.119781 202.1
[M+CH3COO]- 413.135431 204.9
[M+Na-2H]- 375.096246 189.3
[M]+ 354.12103142 186.6
[M]- 354.12212858 186.6
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.