CID 6096795

Chembl177562

Structural Information

Molecular Formula
C15H13N3O4
SMILES
C1CCC(C1)N2C(=O)C3=C(C2=O)C(=O)C4=C(C3=O)NC=CN4
InChI
InChI=1S/C15H13N3O4/c19-12-8-9(13(20)11-10(12)16-5-6-17-11)15(22)18(14(8)21)7-3-1-2-4-7/h5-7,16-17H,1-4H2
InChIKey
ZVQXFYJDRIVKMI-UHFFFAOYSA-N
Compound name
7-cyclopentyl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

299.0906 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09788 165.0
[M+Na]+ 322.07982 177.5
[M-H]- 298.08332 169.1
[M+NH4]+ 317.12442 180.8
[M+K]+ 338.05376 170.7
[M+H-H2O]+ 282.08786 157.8
[M+HCOO]- 344.08880 183.0
[M+CH3COO]- 358.10445 176.8
[M+Na-2H]- 320.06527 166.4
[M]+ 299.09005 165.5
[M]- 299.09115 165.5
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.