CID 509479

4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

Structural Information

Molecular Formula
C20H15F3N2O2
SMILES
COC1=CC=C(C=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4
InChI
InChI=1S/C20H15F3N2O2/c1-26-14-5-7-15(8-6-14)27-12-17-18-3-2-10-25(18)19-9-4-13(20(21,22)23)11-16(19)24-17/h2-11H,12H2,1H3
InChIKey
MFSDDYBOOIRSCP-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.10855 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11583 187.1
[M+Na]+ 395.09777 198.7
[M-H]- 371.10127 190.1
[M+NH4]+ 390.14237 200.6
[M+K]+ 411.07171 191.8
[M+H-H2O]+ 355.10581 175.0
[M+HCOO]- 417.10675 203.7
[M+CH3COO]- 431.12240 197.3
[M+Na-2H]- 393.08322 191.8
[M]+ 372.10800 189.4
[M]- 372.10910 189.4
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.