CID 387374

Nsc681126

Structural Information

Molecular Formula
C22H22F3N3O5
SMILES
CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H22F3N3O5/c1-5-33-21(29)18-20(28-15-10-13(22(23,24)25)6-7-14(15)27-18)26-11-12-8-16(30-2)19(32-4)17(9-12)31-3/h6-10H,5,11H2,1-4H3,(H,26,28)
InChIKey
MDFRZXVWANAHDK-UHFFFAOYSA-N
Compound name
ethyl 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

465.15115 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.15843 211.2
[M+Na]+ 488.14037 219.7
[M-H]- 464.14387 212.7
[M+NH4]+ 483.18497 217.6
[M+K]+ 504.11431 215.6
[M+H-H2O]+ 448.14841 197.7
[M+HCOO]- 510.14935 225.7
[M+CH3COO]- 524.16500 238.7
[M+Na-2H]- 486.12582 212.6
[M]+ 465.15060 216.0
[M]- 465.15170 216.0
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.