CID 363440

Nsc628351

Structural Information

Molecular Formula
C17H19N3O2
SMILES
C1CCN(C1)C2=CC(=O)C(=O)C3=CN=C(C=C23)N4CCCC4
InChI
InChI=1S/C17H19N3O2/c21-15-10-14(19-5-1-2-6-19)12-9-16(20-7-3-4-8-20)18-11-13(12)17(15)22/h9-11H,1-8H2
InChIKey
DJKUTEYVFYOIAH-UHFFFAOYSA-N
Compound name
3,5-dipyrrolidin-1-ylisoquinoline-7,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.14774 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.155016 170.9
[M+Na]+ 320.136958 177.5
[M-H]- 296.140464 177.3
[M+NH4]+ 315.181563 186.1
[M+K]+ 336.110898 172.5
[M+H-H2O]+ 280.145000 161.2
[M+HCOO]- 342.145941 186.5
[M+CH3COO]- 356.161591 181.0
[M+Na-2H]- 318.122406 168.5
[M]+ 297.14719142 166.2
[M]- 297.14828858 166.2
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.