CID 49768604

Ethyl (7-methoxy-1,4-dioxido-3-phenylquinoxalin-2-yl)acetate

Structural Information

Molecular Formula
C19H18N2O5
SMILES
CCOC(=O)CC1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O5/c1-3-26-18(22)12-17-19(13-7-5-4-6-8-13)21(24)15-10-9-14(25-2)11-16(15)20(17)23/h4-11H,3,12H2,1-2H3
InChIKey
JOFYIUVQBSZCQG-UHFFFAOYSA-N
Compound name
ethyl 2-(7-methoxy-1-oxido-4-oxo-3-phenylquinoxalin-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]+ 355.12886 183.6
[M+Na]+ 377.11080 191.9
[M-H]- 353.11430 187.8
[M+NH4]+ 372.15540 193.6
[M+K]+ 393.08474 182.9
[M+H-H2O]+ 337.11884 177.9
[M+HCOO]- 399.11978 202.1
[M+CH3COO]- 413.13543 204.9
[M+Na-2H]- 375.09625 189.3
[M]+ 354.12103 186.6
[M]- 354.12213 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.