CID 509474

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

Structural Information

Molecular Formula
C20H18N2O3
SMILES
COC1=CC(=CC(=C1)OCC2=NC3=CC=CC=C3N4C2=CC=C4)OC
InChI
InChI=1S/C20H18N2O3/c1-23-14-10-15(24-2)12-16(11-14)25-13-18-20-8-5-9-22(20)19-7-4-3-6-17(19)21-18/h3-12H,13H2,1-2H3
InChIKey
FLAVUKSCLFTLDS-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.13174 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 178.6
[M+Na]+ 357.12096 189.3
[M-H]- 333.12446 185.4
[M+NH4]+ 352.16556 193.5
[M+K]+ 373.09490 184.1
[M+H-H2O]+ 317.12900 168.7
[M+HCOO]- 379.12994 200.3
[M+CH3COO]- 393.14559 190.4
[M+Na-2H]- 355.10641 184.4
[M]+ 334.13119 185.9
[M]- 334.13229 185.9
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.