CID 363439

Nsc628350

Structural Information

Molecular Formula
C17H19N3O4
SMILES
C1COCCN1C2=CC(=O)C(=O)C3=CN=C(C=C23)N4CCOCC4
InChI
InChI=1S/C17H19N3O4/c21-15-10-14(19-1-5-23-6-2-19)12-9-16(18-11-13(12)17(15)22)20-3-7-24-8-4-20/h9-11H,1-8H2
InChIKey
WGBLSECVWDQWGE-UHFFFAOYSA-N
Compound name
3,5-dimorpholin-4-ylisoquinoline-7,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.13754 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14482 179.0
[M+Na]+ 352.12676 183.9
[M-H]- 328.13026 185.1
[M+NH4]+ 347.17136 185.8
[M+K]+ 368.10070 181.7
[M+H-H2O]+ 312.13480 166.8
[M+HCOO]- 374.13574 188.2
[M+CH3COO]- 388.15139 187.0
[M+Na-2H]- 350.11221 181.4
[M]+ 329.13699 173.5
[M]- 329.13809 173.5
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.