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

literature stripe

Patent stripe

patents stripe