CID 6096796

Chembl369834

Structural Information

Molecular Formula
C15H14N4O4
SMILES
C1CNCCC1N2C(=O)C3=C(C2=O)C(=O)C4=C(C3=O)NC=CN4
InChI
InChI=1S/C15H14N4O4/c20-12-8-9(13(21)11-10(12)17-5-6-18-11)15(23)19(14(8)22)7-1-3-16-4-2-7/h5-7,16-18H,1-4H2
InChIKey
IXNMNWSSOIPTSN-UHFFFAOYSA-N
Compound name
7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

314.1015 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10878 171.5
[M+Na]+ 337.09072 182.8
[M-H]- 313.09422 172.1
[M+NH4]+ 332.13532 182.5
[M+K]+ 353.06466 174.6
[M+H-H2O]+ 297.09876 162.6
[M+HCOO]- 359.09970 184.1
[M+CH3COO]- 373.11535 180.9
[M+Na-2H]- 335.07617 174.2
[M]+ 314.10095 168.4
[M]- 314.10205 168.4
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