CID 510900

Methyl (8-methoxyquinoxalin-6-yl)[?]carboxylate

Structural Information

Molecular Formula
C23H19N3O6
SMILES
COC1=CC(=CC2=NC=CN=C12)[C@H]3[C@H]([C@H]4CON=C4C5=CC6=C(C=C35)OCO6)C(=O)OC
InChI
InChI=1S/C23H19N3O6/c1-28-18-6-11(5-15-22(18)25-4-3-24-15)19-12-7-16-17(31-10-30-16)8-13(12)21-14(9-32-26-21)20(19)23(27)29-2/h3-8,14,19-20H,9-10H2,1-2H3/t14-,19-,20+/m1/s1
InChIKey
SNBQHWJMLCTIDZ-XMCHAPAWSA-N
Compound name
methyl (3aR,4R,5R)-5-(8-methoxyquinoxalin-6-yl)-3,3a,4,5-tetrahydro-[1,3]benzodioxolo[6,5-g][2,1]benzoxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.12738 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.13466 198.0
[M+Na]+ 456.11660 206.8
[M-H]- 432.12010 206.7
[M+NH4]+ 451.16120 206.5
[M+K]+ 472.09054 205.9
[M+H-H2O]+ 416.12464 189.1
[M+HCOO]- 478.12558 208.1
[M+CH3COO]- 492.14123 207.1
[M+Na-2H]- 454.10205 198.3
[M]+ 433.12683 204.6
[M]- 433.12793 204.6
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.