CID 382846

Nsc670676

Structural Information

Molecular Formula

C₂₀H₂₁N₃O₅

SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H21N3O5/c1-5-28-20(24)17-19(23-14-9-7-6-8-13(14)22-17)21-12-10-15(25-2)18(27-4)16(11-12)26-3/h6-11H,5H2,1-4H3,(H,21,23)

InChIKey

YGWWRSBEIOZARC-UHFFFAOYSA-N

Compound name

ethyl 3-(3,4,5-trimethoxyanilino)quinoxaline-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 383.14813 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	384.15541	190.7
[M+Na]+	406.13735	198.7
[M-H]-	382.14085	196.0
[M+NH4]+	401.18195	200.3
[M+K]+	422.11129	195.8
[M+H-H2O]+	366.14539	179.7
[M+HCOO]-	428.14633	210.9
[M+CH3COO]-	442.16198	223.9
[M+Na-2H]-	404.12280	194.8
[M]+	383.14758	198.3
[M]-	383.14868	198.3

Literature stripe

literature stripe

Patent stripe

patents stripe