CID 509477

7-(trifluoromethyl)-4-[(3,4,5-trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline

Structural Information

Molecular Formula
C22H19F3N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4
InChI
InChI=1S/C22H19F3N2O4/c1-28-19-10-14(11-20(29-2)21(19)30-3)31-12-16-17-5-4-8-27(17)18-7-6-13(22(23,24)25)9-15(18)26-16/h4-11H,12H2,1-3H3
InChIKey
CJNAZIFNZSETNY-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-4-[(3,4,5-trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.1297 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.13698 203.6
[M+Na]+ 455.11892 215.2
[M-H]- 431.12242 206.9
[M+NH4]+ 450.16352 214.8
[M+K]+ 471.09286 209.7
[M+H-H2O]+ 415.12696 191.2
[M+HCOO]- 477.12790 219.5
[M+CH3COO]- 491.14355 229.1
[M+Na-2H]- 453.10437 206.1
[M]+ 432.12915 210.0
[M]- 432.13025 210.0
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.