CID 383933

Nsc672889

Structural Information

Molecular Formula
C21H20F3N3O5
SMILES
CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H20F3N3O5/c1-5-32-20(28)17-19(25-12-9-15(29-2)18(31-4)16(10-12)30-3)27-13-7-6-11(21(22,23)24)8-14(13)26-17/h6-10H,5H2,1-4H3,(H,25,27)
InChIKey
FQAXSMLGALNSSS-UHFFFAOYSA-N
Compound name
ethyl 7-(trifluoromethyl)-3-(3,4,5-trimethoxyanilino)quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.1355 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.14278 206.7
[M+Na]+ 474.12472 215.6
[M-H]- 450.12822 208.3
[M+NH4]+ 469.16932 213.7
[M+K]+ 490.09866 211.8
[M+H-H2O]+ 434.13276 193.4
[M+HCOO]- 496.13370 221.5
[M+CH3COO]- 510.14935 235.8
[M+Na-2H]- 472.11017 208.6
[M]+ 451.13495 211.2
[M]- 451.13605 211.2
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.