CID 208953

Fanapanel

Structural Information

Molecular Formula
C14H15F3N3O6P
SMILES
C1COCCN1C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CP(=O)(O)O
InChI
InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)
InChIKey
WZMQMKNCWDCCMT-UHFFFAOYSA-N
Compound name
[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

325
Patents

409.06506 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.07234 188.3
[M+Na]+ 432.05428 194.8
[M+NH4]+ 427.09888 188.3
[M+K]+ 448.02822 194.0
[M-H]- 408.05778 182.7
[M+Na-2H]- 430.03973 187.2
[M]+ 409.06451 186.8
[M]- 409.06561 186.8
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

patents stripe