CID 388333

Nsc683068

Structural Information

Molecular Formula
C21H20F3N3O4
SMILES
CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H20F3N3O4/c1-4-31-20(28)18-19(25-11-12-5-8-16(29-2)17(9-12)30-3)27-15-10-13(21(22,23)24)6-7-14(15)26-18/h5-10H,4,11H2,1-3H3,(H,25,27)
InChIKey
DEZUPVHMVVPZBH-UHFFFAOYSA-N
Compound name
ethyl 3-[(3,4-dimethoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.1406 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.14788 203.5
[M+Na]+ 458.12982 212.0
[M-H]- 434.13332 204.8
[M+NH4]+ 453.17442 211.1
[M+K]+ 474.10376 207.1
[M+H-H2O]+ 418.13786 190.3
[M+HCOO]- 480.13880 218.3
[M+CH3COO]- 494.15445 232.3
[M+Na-2H]- 456.11527 206.0
[M]+ 435.14005 206.2
[M]- 435.14115 206.2
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.