CID 491914

Ethanone, 1-[3-[(4-methoxyphenoxy)methyl]-1,4-dioxido-2-quinoxalinyl]-

Structural Information

Molecular Formula
C18H16N2O5
SMILES
CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])COC3=CC=C(C=C3)OC
InChI
InChI=1S/C18H16N2O5/c1-12(21)18-17(11-25-14-9-7-13(24-2)8-10-14)19(22)15-5-3-4-6-16(15)20(18)23/h3-10H,11H2,1-2H3
InChIKey
MJWCTSFKQJRMOQ-UHFFFAOYSA-N
Compound name
1-[3-[(4-methoxyphenoxy)methyl]-4-oxido-1-oxoquinoxalin-1-ium-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.10593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11321 178.6
[M+Na]+ 363.09515 187.3
[M-H]- 339.09865 183.0
[M+NH4]+ 358.13975 189.1
[M+K]+ 379.06909 178.4
[M+H-H2O]+ 323.10319 173.1
[M+HCOO]- 385.10413 197.5
[M+CH3COO]- 399.11978 202.6
[M+Na-2H]- 361.08060 184.8
[M]+ 340.10538 181.4
[M]- 340.10648 181.4
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.