CID 364331

Nsc630346

Structural Information

Molecular Formula
C21H19N3O6
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C
InChI
InChI=1S/C21H19N3O6/c1-3-30-15-10-8-14(9-11-15)22-21(27)19(26)12-18(25)20-13(2)23(28)16-6-4-5-7-17(16)24(20)29/h4-11H,3,12H2,1-2H3,(H,22,27)
InChIKey
HABSHDVCGNMKSS-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.12738 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.13466 194.2
[M+Na]+ 432.11660 200.1
[M-H]- 408.12010 198.1
[M+NH4]+ 427.16120 200.9
[M+K]+ 448.09054 191.5
[M+H-H2O]+ 392.12464 188.2
[M+HCOO]- 454.12558 211.6
[M+CH3COO]- 468.14123 217.7
[M+Na-2H]- 430.10205 198.0
[M]+ 409.12683 195.9
[M]- 409.12793 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.