CID 388332

Nsc683067

Structural Information

Molecular Formula
C19H14Cl2F3N3O2
SMILES
CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H14Cl2F3N3O2/c1-2-29-18(28)16-17(25-9-10-3-5-12(20)13(21)7-10)27-15-8-11(19(22,23)24)4-6-14(15)26-16/h3-8H,2,9H2,1H3,(H,25,27)
InChIKey
DAPUXPNKAJNYDY-UHFFFAOYSA-N
Compound name
ethyl 3-[(3,4-dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.0415 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.04878 196.4
[M+Na]+ 466.03072 207.3
[M-H]- 442.03422 197.2
[M+NH4]+ 461.07532 205.5
[M+K]+ 482.00466 199.1
[M+H-H2O]+ 426.03876 185.0
[M+HCOO]- 488.03970 202.2
[M+CH3COO]- 502.05535 229.3
[M+Na-2H]- 464.01617 198.8
[M]+ 443.04095 199.7
[M]- 443.04205 199.7
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.