CID 509478

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

Structural Information

Molecular Formula
C21H17F3N2O3
SMILES
COC1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4)OC
InChI
InChI=1S/C21H17F3N2O3/c1-27-14-9-15(28-2)11-16(10-14)29-12-18-19-4-3-7-26(19)20-6-5-13(21(22,23)24)8-17(20)25-18/h3-11H,12H2,1-2H3
InChIKey
ZQZLFZJXEAJANO-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.11914 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12642 195.5
[M+Na]+ 425.10836 207.1
[M-H]- 401.11186 198.6
[M+NH4]+ 420.15296 207.8
[M+K]+ 441.08230 200.8
[M+H-H2O]+ 385.11640 183.2
[M+HCOO]- 447.11734 211.7
[M+CH3COO]- 461.13299 222.8
[M+Na-2H]- 423.09381 199.0
[M]+ 402.11859 199.8
[M]- 402.11969 199.8
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

No patent data available for this compound.