CID 509480

Ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate

Structural Information

Molecular Formula
C22H17F3N2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4
InChI
InChI=1S/C22H17F3N2O3/c1-2-29-21(28)14-5-8-16(9-6-14)30-13-18-19-4-3-11-27(19)20-10-7-15(22(23,24)25)12-17(20)26-18/h3-12H,2,13H2,1H3
InChIKey
KJSJWOVMRFJNLP-UHFFFAOYSA-N
Compound name
ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.11914 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12642 198.4
[M+Na]+ 437.10836 208.6
[M-H]- 413.11186 201.1
[M+NH4]+ 432.15296 209.8
[M+K]+ 453.08230 202.1
[M+H-H2O]+ 397.11640 186.0
[M+HCOO]- 459.11734 213.5
[M+CH3COO]- 473.13299 224.0
[M+Na-2H]- 435.09381 201.1
[M]+ 414.11859 201.3
[M]- 414.11969 201.3
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.