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]+ 298.15502 170.9
[M+Na]+ 320.13696 177.5
[M-H]- 296.14046 177.3
[M+NH4]+ 315.18156 186.1
[M+K]+ 336.11090 172.5
[M+H-H2O]+ 280.14500 161.2
[M+HCOO]- 342.14594 186.5
[M+CH3COO]- 356.16159 181.0
[M+Na-2H]- 318.12241 168.5
[M]+ 297.14719 166.2
[M]- 297.14829 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.