CID 384954

Nsc675778

Structural Information

Molecular Formula
C20H21N3O4
SMILES
CCOC(=O)C1=NC2=CC=CC=C2N=C1NCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H21N3O4/c1-4-27-20(24)18-19(23-15-8-6-5-7-14(15)22-18)21-12-13-9-10-16(25-2)17(11-13)26-3/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKey
JXWGYQCZHLZNOC-UHFFFAOYSA-N
Compound name
ethyl 3-[(3,4-dimethoxyphenyl)methylamino]quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.1532 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16048 187.6
[M+Na]+ 390.14242 195.0
[M-H]- 366.14592 192.6
[M+NH4]+ 385.18702 197.8
[M+K]+ 406.11636 191.2
[M+H-H2O]+ 350.15046 176.7
[M+HCOO]- 412.15140 207.8
[M+CH3COO]- 426.16705 220.4
[M+Na-2H]- 388.12787 192.3
[M]+ 367.15265 193.4
[M]- 367.15375 193.4
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.