CID 388330

Nsc683065

Structural Information

Molecular Formula
C20H18F3N3O3
SMILES
CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H18F3N3O3/c1-3-29-19(27)17-18(24-11-12-4-7-14(28-2)8-5-12)26-16-10-13(20(21,22)23)6-9-15(16)25-17/h4-10H,3,11H2,1-2H3,(H,24,26)
InChIKey
CNRUEPLLHXEFLS-UHFFFAOYSA-N
Compound name
ethyl 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

405.13004 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13732 195.6
[M+Na]+ 428.11926 203.9
[M-H]- 404.12276 196.8
[M+NH4]+ 423.16386 204.3
[M+K]+ 444.09320 198.4
[M+H-H2O]+ 388.12730 182.6
[M+HCOO]- 450.12824 210.7
[M+CH3COO]- 464.14389 225.9
[M+Na-2H]- 426.10471 199.2
[M]+ 405.12949 196.2
[M]- 405.13059 196.2
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.