CID 363436

8-morpholinoisoquinoline-5,6-dione

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1COCCN1C2=CC(=O)C(=O)C3=C2C=NC=C3
InChI
InChI=1S/C13H12N2O3/c16-12-7-11(15-3-5-18-6-4-15)10-8-14-2-1-9(10)13(12)17/h1-2,7-8H,3-6H2
InChIKey
BVDJRPXPELVESI-UHFFFAOYSA-N
Compound name
8-morpholin-4-ylisoquinoline-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 152.9
[M+Na]+ 267.07402 160.6
[M-H]- 243.07752 158.0
[M+NH4]+ 262.11862 166.9
[M+K]+ 283.04796 158.0
[M+H-H2O]+ 227.08206 143.7
[M+HCOO]- 289.08300 169.0
[M+CH3COO]- 303.09865 164.3
[M+Na-2H]- 265.05947 159.1
[M]+ 244.08425 150.3
[M]- 244.08535 150.3
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.