CID 363438

Nsc628349

Structural Information

Molecular Formula
C19H23N3O2
SMILES
C1CCN(CC1)C2=CC(=O)C(=O)C3=CN=C(C=C23)N4CCCCC4
InChI
InChI=1S/C19H23N3O2/c23-17-12-16(21-7-3-1-4-8-21)14-11-18(20-13-15(14)19(17)24)22-9-5-2-6-10-22/h11-13H,1-10H2
InChIKey
JENJEIUVUDNCCE-UHFFFAOYSA-N
Compound name
3,5-di(piperidin-1-yl)isoquinoline-7,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 181.1
[M+Na]+ 348.16824 184.8
[M-H]- 324.17174 185.4
[M+NH4]+ 343.21284 190.7
[M+K]+ 364.14218 178.9
[M+H-H2O]+ 308.17628 168.6
[M+HCOO]- 370.17722 191.0
[M+CH3COO]- 384.19287 188.3
[M+Na-2H]- 346.15369 181.5
[M]+ 325.17847 172.0
[M]- 325.17957 172.0
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

No patent data available for this compound.