CID 389429

Nsc685511

Structural Information

Molecular Formula
C19H15F4N3O2
SMILES
CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC=C(C=C3)F
InChI
InChI=1S/C19H15F4N3O2/c1-2-28-18(27)16-17(24-10-11-3-6-13(20)7-4-11)26-15-9-12(19(21,22)23)5-8-14(15)25-16/h3-9H,2,10H2,1H3,(H,24,26)
InChIKey
HEDABOPYBDXVSM-UHFFFAOYSA-N
Compound name
ethyl 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.11005 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11733 191.3
[M+Na]+ 416.09927 200.3
[M-H]- 392.10277 191.2
[M+NH4]+ 411.14387 200.5
[M+K]+ 432.07321 193.8
[M+H-H2O]+ 376.10731 177.6
[M+HCOO]- 438.10825 205.4
[M+CH3COO]- 452.12390 223.6
[M+Na-2H]- 414.08472 194.6
[M]+ 393.10950 189.0
[M]- 393.11060 189.0
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.