CID 15041620

Pyrido[3,4-g]isoquinoline-5,10-dione

Structural Information

Molecular Formula
C12H6N2O2
SMILES
C1=CN=CC2=C1C(=O)C3=C(C2=O)C=CN=C3
InChI
InChI=1S/C12H6N2O2/c15-11-7-1-3-13-5-9(7)12(16)8-2-4-14-6-10(8)11/h1-6H
InChIKey
KFLUOJYWKAUGOT-UHFFFAOYSA-N
Compound name
pyrido[3,4-g]isoquinoline-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

210.04292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05020 141.7
[M+Na]+ 233.03214 152.9
[M-H]- 209.03564 145.0
[M+NH4]+ 228.07674 160.0
[M+K]+ 249.00608 148.4
[M+H-H2O]+ 193.04018 133.6
[M+HCOO]- 255.04112 161.6
[M+CH3COO]- 269.05677 155.0
[M+Na-2H]- 231.01759 151.6
[M]+ 210.04237 142.3
[M]- 210.04347 142.3
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