CID 6096802

Chembl177724

Structural Information

Molecular Formula
C18H11N3O6
SMILES
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C3=O)C(=O)C5=C(C4=O)NC=CN5
InChI
InChI=1S/C18H11N3O6/c22-15-11-12(16(23)14-13(15)19-3-4-20-14)18(25)21(17(11)24)6-8-1-2-9-10(5-8)27-7-26-9/h1-5,19-20H,6-7H2
InChIKey
FKFCNJHQZVZBPY-UHFFFAOYSA-N
Compound name
7-(1,3-benzodioxol-5-ylmethyl)-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

365.0648 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07208 179.3
[M+Na]+ 388.05402 193.2
[M-H]- 364.05752 186.3
[M+NH4]+ 383.09862 190.5
[M+K]+ 404.02796 188.6
[M+H-H2O]+ 348.06206 172.0
[M+HCOO]- 410.06300 195.4
[M+CH3COO]- 424.07865 190.9
[M+Na-2H]- 386.03947 182.5
[M]+ 365.06425 185.3
[M]- 365.06535 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.